VD/VDR

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  1. Falecalcitriol, Agonist of Vitamin D receptor
    CAS: 83805-11-2 PubChem CID: 5282190 Formula: C27H38F6O3 Molecular Weight: 524.58
    Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. ≥98%
    ● In Stock — US warehouse, ships to EU* Item #: F127396
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    IUPAC Name
    (1R,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(2R)-7,7,7-trifluoro-6-hydroxy-6-(trifluoromethyl)heptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylideshow more
    SMILES
    CC(CCCC(C(F)(F)F)(C(F)(F)F)O)C1CCC2C1(CCCC2=CC=C3CC(CC(C3=C)O)O)C
    InChIKey
    XPYGGHVSFMUHLH-UUSULHAXSA-N
    InChI
    1S/C27H38F6O3/c1-16(6-4-13-25(36,26(28,29)30)27(31,32)33)21-10-11-22-18(7-5-12-24(21,22)3)8-9-19-14-20(34)15-23(35)17(19)2/h8-9,16,20-23,34-36H,2,4-7,show more
    Synonyms
    Hornel | Falecalcitol | (1R,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(2R)-7,7,7-trifluoro-6-hydroxy-6-(trifluorome...
  2. Cholecalciferol (D3)
    CAS: 67-97-0 EC Number: 200-673-2 Formula: C27H44O Molecular Weight: 384.64
    Analytical standard ? Analytical standard — certified-purity material for quantitative calibration. Use to prepare calibration standards and validate analytical methods. Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools.
    ● In Stock — US warehouse, ships to EU* Item #: C105355
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    IUPAC Name
    (1S,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(2R)-6-methylheptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1show more
    SMILES
    CC(C)CCCC(C)C1CCC2C1(CCCC2=CC=C3CC(CCC3=C)O)C
    InChIKey
    QYSXJUFSXHHAJI-YRZJJWOYSA-N
    InChI
    1S/C27H44O/c1-19(2)8-6-9-21(4)25-15-16-26-22(10-7-17-27(25,26)5)12-13-23-18-24(28)14-11-20(23)3/h12-13,19,21,24-26,28H,3,6-11,14-18H2,1-2,4-5H3/b22-12show more
    Synonyms
    bmse000507 | CHOLECALCIFEROL [EP MONOGRAPH] | Cyclohexanol, 3-((2E)-2-((1R,3aS,7aR)-1-((1R)-1,5-dimethylhexyl)octahyd...
  3. Calcifediol
    CAS: 19356-17-3 EC Number: 242-990-9 Formula: C27H44O2 Molecular Weight: 400.64
    Solid Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. ≥98%
    ● In Stock — US warehouse, ships to EU* Item #: C134398
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    IUPAC Name
    (1S,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-1-[(2R)-6-hydroxy-6-methylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyshow more
    SMILES
    CC(CCCC(C)(C)O)C1CCC2C1(CCCC2=CC=C3CC(CCC3=C)O)C
    InChIKey
    JWUBBDSIWDLEOM-DTOXIADCSA-N
    InChI
    1S/C27H44O2/c1-19-10-13-23(28)18-22(19)12-11-21-9-7-17-27(5)24(14-15-25(21)27)20(2)8-6-16-26(3,4)29/h11-12,20,23-25,28-29H,1,6-10,13-18H2,2-5H3/b21-11show more
    Synonyms
    25-Hydroxyvitamin D3 monohydrate, >=99.0% (HPLC) | Cholecalciferol, 25-hydroxy- | 3-{2-[1-(5-HYDROXY-1,5-DIMETHYL-HEX...
  4. VD3-D6
    CAS: 118584-54-6 Formula: C27H44O Molecular Weight: 390.67
    ◐ .Made to order · 8–12 wks Item #: V127280
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    IUPAC Name
    (1S,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(2R)-7,7,7-trideuterio-6-(trideuteriomethyl)heptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylishow more
    SMILES
    CC(C)CCCC(C)C1CCC2C1(CCCC2=CC=C3CC(CCC3=C)O)C
    InChIKey
    QYSXJUFSXHHAJI-HCXPDEKJSA-N
    InChI
    1S/C27H44O/c1-19(2)8-6-9-21(4)25-15-16-26-22(10-7-17-27(25,26)5)12-13-23-18-24(28)14-11-20(23)3/h12-13,19,21,24-26,28H,3,6-11,14-18H2,1-2,4-5H3/b22-12show more
    Synonyms
    MS-26514 | (1S,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(2R)-7,7,7-trideuterio-6-(trideuteriomethyl)heptan-2-yl]-2,3,...
  5. Vitamin D4
    CAS: 511-28-4 EC Number: 208-127-5 PubChem CID: 5460703 Formula: C28H46O Molecular Weight: 398.66
    ● In Stock — US warehouse, ships to EU* Item #: D138931
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    IUPAC Name
    (1S,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-1-[(2R,5S)-5,6-dimethylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecycloshow more
    SMILES
    CC(C)C(C)CCC(C)C1CCC2C1(CCCC2=CC=C3CC(CCC3=C)O)C
    InChIKey
    DIPPFEXMRDPFBK-JPWDPSJFSA-N
    InChI
    1S/C28H46O/c1-19(2)20(3)9-10-22(5)26-15-16-27-23(8-7-17-28(26,27)6)12-13-24-18-25(29)14-11-21(24)4/h12-13,19-20,22,25-27,29H,4,7-11,14-18H2,1-3,5-6H3/show more
    Synonyms
    Vitamin D4 | (5Z,7E)-(3S)-9,10-secoergosta-5,7,10(19)-trien-3-ol | 9,10-Secocholesta-5,7,10(9)-trien-3-ol, 24-methyl-...
  6. Maxacalcitol, Agonist of Vitamin D receptor
    CAS: 103909-75-7 EC Number: 686-295-2 PubChem CID: 6398761 Formula: C26H42O4 Molecular Weight: 418.62
    Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. ≥97%
    ● In Stock — US warehouse, ships to EU* Item #: M127999
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    IUPAC Name
    (1R,3S,5Z)-5-[(2E)-2-[(1S,3aS,7aS)-1-[(1S)-1-(3-hydroxy-3-methylbutoxy)ethyl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylshow more
    SMILES
    CC(C1CCC2C1(CCCC2=CC=C3CC(CC(C3=C)O)O)C)OCCC(C)(C)O
    InChIKey
    DTXXSJZBSTYZKE-ZDQKKZTESA-N
    InChI
    1S/C26H42O4/c1-17-20(15-21(27)16-24(17)28)9-8-19-7-6-12-26(5)22(10-11-23(19)26)18(2)30-14-13-25(3,4)29/h8-9,18,21-24,27-29H,1,6-7,10-16H2,2-5H3/b19-8+show more
    Synonyms
    CHEBI:31801 | MAXACALCITOL [INN] | (1R,3S,5Z)-4-Methylene-5-[(2E)-2-[(1S,3aS,7aS)-octahydro-1-[(1S)-1-(3-hydroxy-3-me...
  7. Alfacalcidol, Vitamin D receptor agonist
    CAS: 41294-56-8 EC Number: 255-297-1 Formula: C27H44O2 Molecular Weight: 400.64
    Solid ≥97%
    ● In Stock — US warehouse, ships to EU* Item #: A120129
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    IUPAC Name
    (1R,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(2R)-6-methylheptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexashow more
    SMILES
    CC(C)CCCC(C)C1CCC2C1(CCCC2=CC=C3CC(CC(C3=C)O)O)C
    InChIKey
    OFHCOWSQAMBJIW-AVJTYSNKSA-N
    InChI
    1S/C27H44O2/c1-18(2)8-6-9-19(3)24-13-14-25-21(10-7-15-27(24,25)5)11-12-22-16-23(28)17-26(29)20(22)4/h11-12,18-19,23-26,28-29H,4,6-10,13-17H2,1-3,5H3/bshow more
    Synonyms
    1-alpha-vitamin d | Alfacalcidolum | Bondiol | Un-Alpha | EINECS 255-297-1 | UDPGATRIAMMONIUMSALT | 1 | 1alpha-Hydrox...
  8. Ergocalciferol (D2)
    CAS: 50-14-6 EC Number: 200-014-9 PubChem CID: 5280793 Formula: C28H44O Molecular Weight: 396.65
    Solid Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. ≥98%
    ● In Stock — US warehouse, ships to EU* Item #: E106318
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    IUPAC Name
    (1S,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-1-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylideneshow more
    SMILES
    CC(C)C(C)C=CC(C)C1CCC2C1(CCCC2=CC=C3CC(CCC3=C)O)C
    InChIKey
    MECHNRXZTMCUDQ-RKHKHRCZSA-N
    InChI
    1S/C28H44O/c1-19(2)20(3)9-10-22(5)26-15-16-27-23(8-7-17-28(26,27)6)12-13-24-18-25(29)14-11-21(24)4/h9-10,12-13,19-20,22,25-27,29H,4,7-8,11,14-18H2,1-3show more
    Synonyms
    Ergorone | (5Z,7E,22E)-(3S)-9,10-seco-5,7,10(19),22-ergostatetraen-3-ol | Condocaps | Vitamina D2 | (5Z,7E,22E)-(3S)-...
  9. Paricalcitol, Vitamin D receptor agonist
    CAS: 131918-61-1 PubChem CID: 5281104 Formula: C27H44O3 Molecular Weight: 416.64
    Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. ≥99%
    ● In Stock — US warehouse, ships to EU* Item #: P126516
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    IUPAC Name
    (1R,3R)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(E,2R,5S)-6-hydroxy-5,6-dimethylhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]cyclshow more
    SMILES
    CC(C=CC(C)C(C)(C)O)C1CCC2C1(CCCC2=CC=C3CC(CC(C3)O)O)C
    InChIKey
    BPKAHTKRCLCHEA-UBFJEZKGSA-N
    InChI
    1S/C27H44O3/c1-18(8-9-19(2)26(3,4)30)24-12-13-25-21(7-6-14-27(24,25)5)11-10-20-15-22(28)17-23(29)16-20/h8-11,18-19,22-25,28-30H,6-7,12-17H2,1-5H3/b9-8show more
    Synonyms
    PARICALCITOL [USP IMPURITY] | Zemplar (TN) | (1alpha,3beta,7E,22E)-19-Nor-9,10-secoergosta-5,7,22-triene-1,3,25-triol...
  10. Doxercalciferol, Vitamin D receptor agonist
    CAS: 54573-75-0 EC Number: 643-005-9 PubChem CID: 5281107 Formula: C28H44O2 Molecular Weight: 412.65
    Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. ≥98%
    ● In Stock — US warehouse, ships to EU* Item #: D120130
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    Technical Identifiers
    IUPAC Name
    (1R,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidshow more
    SMILES
    CC(C)C(C)C=CC(C)C1CCC2C1(CCCC2=CC=C3CC(CC(C3=C)O)O)C
    InChIKey
    HKXBNHCUPKIYDM-CGMHZMFXSA-N
    InChI
    1S/C28H44O2/c1-18(2)19(3)9-10-20(4)25-13-14-26-22(8-7-15-28(25,26)6)11-12-23-16-24(29)17-27(30)21(23)5/h9-12,18-20,24-27,29-30H,5,7-8,13-17H2,1-4,6H3/show more
    Synonyms
    1-Hydroxyergocalciferol | 1.alpha.-Hydroxyvitamin D2 | AKOS005146517 | DOXERCALCIFEROL [USAN] | DOXERCALCIFEROL [VAND...
  11. Ercalcitriol
    CAS: 60133-18-8 EC Number: 634-659-6 PubChem CID: 9547243 Formula: C28H44O3 Molecular Weight: 428.65
    Solid Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. ≥97%
    ● In Stock — US warehouse, ships to EU* Item #: D120133
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    IUPAC Name
    (1R,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(E,2R,5S)-6-hydroxy-5,6-dimethylhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-show more
    SMILES
    CC(C=CC(C)C(C)(C)O)C1CCC2C1(CCCC2=CC=C3CC(CC(C3=C)O)O)C
    InChIKey
    ZGLHBRQAEXKACO-XJRQOBMKSA-N
    InChI
    1S/C28H44O3/c1-18(9-10-19(2)27(4,5)31)24-13-14-25-21(8-7-15-28(24,25)6)11-12-22-16-23(29)17-26(30)20(22)3/h9-12,18-19,23-26,29-31H,3,7-8,13-17H2,1-2,4show more
    Synonyms
    AKOS024457904 | 1,25-Dihydroxyvitamin D2 | 1alpha,25-Dihydroxycalciferol | NCGC00245115-01 | ZGLHBRQAEXKACO-XJRQOBMKS...
  12. Vitamin D3
    CAS: 67-97-0 EC Number: 200-673-2 Formula: C27H44O Molecular Weight: 384.64
    Solid Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. ≥98%
    ● In Stock — US warehouse, ships to EU* Item #: C105354
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    IUPAC Name
    (1S,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(2R)-6-methylheptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1show more
    SMILES
    CC(C)CCCC(C)C1CCC2C1(CCCC2=CC=C3CC(CCC3=C)O)C
    InChIKey
    QYSXJUFSXHHAJI-YRZJJWOYSA-N
    InChI
    1S/C27H44O/c1-19(2)8-6-9-21(4)25-15-16-26-22(10-7-17-27(25,26)5)12-13-23-18-24(28)14-11-20(23)3/h12-13,19,21,24-26,28H,3,6-11,14-18H2,1-2,4-5H3/b22-12show more
    Synonyms
    bmse000507 | CHOLECALCIFEROL [EP MONOGRAPH] | Cyclohexanol, 3-((2E)-2-((1R,3aS,7aR)-1-((1R)-1,5-dimethylhexyl)octahyd...
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Frequently Asked Questions

How is the VD/VDR listing put together?
It draws on reported VD/VDR annotations within Vitamin D Related/Nuclear Receptor and lists each compound with its structure, identifiers, and the activity published for it. Always check the underlying assay before comparing potency values across entries.
How do I choose a VD/VDR modulator for my assay?
Start from the assay format and readout — biochemical, cell-based, or in vivo — then compare the VD/VDR entries on potency, selectivity over related family members, and solubility in your vehicle. Where several chemotypes are available, a reference compound plus a structurally unrelated backup is the usual way to control for off-target effects.
Which specifications matter most for VD/VDR compounds?
Purity and identity confirmation come first, then solubility in DMSO or your chosen vehicle, recommended storage temperature, and stability in solution. For VD/VDR work in particular, freshly prepared stocks avoid most of the reproducibility problems seen with stored plates. All products are supplied for professional research and development use only, and are not for use in humans, animals, diagnostics, or therapy.
What if the VD/VDR compound I need is not listed?
Search by CAS number or SMILES first, since analogs of VD/VDR compounds are often catalogued under a related target. Custom synthesis and bulk enquiries go to [email protected]. We supply verified businesses, research institutions, universities, and government agencies.

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