COMT

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  1. Opicapone, Catechol O-methyltransferase inhibitor
    CAS: 923287-50-7 Formula: C15H10Cl2N4O6 Molecular Weight: 413.17
    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 #: O356703
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    IUPAC Name
    5-[3-(2,5-dichloro-4,6-dimethyl-1-oxidopyridin-1-ium-3-yl)-1,2,4-oxadiazol-5-yl]-3-nitrobenzene-1,2-diol
    SMILES
    CC1=C(C(=[N+](C(=C1Cl)C)[O-])Cl)C2=NOC(=N2)C3=CC(=C(C(=C3)O)O)[N+](=O)[O-]
    InChIKey
    ASOADIZOVZTJSR-UHFFFAOYSA-N
    InChI
    1S/C15H10Cl2N4O6/c1-5-10(13(17)20(24)6(2)11(5)16)14-18-15(27-19-14)7-3-8(21(25)26)12(23)9(22)4-7/h3-4,22-23H,1-2H3
    Synonyms
    5-[3-(2,5-dichloro-4,6-dimethyl-1-oxidopyridin-1-ium-3-yl)-1,2,4-oxadiazol-5-yl]-3-nitrobenzene-1,2-diol | compound 3...
  2. Entacapone, Catechol O-methyltransferase inhibitor
    CAS: 130929-57-6 EC Number: 603-449-6 Formula: C14H15N3O5 Molecular Weight: 305.29
    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 #: E125270
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    IUPAC Name
    (E)-2-cyano-3-(3,4-dihydroxy-5-nitrophenyl)-N,N-diethylprop-2-enamide
    SMILES
    CCN(CC)C(=O)C(=CC1=CC(=C(C(=C1)O)O)[N+](=O)[O-])C#N
    InChIKey
    JRURYQJSLYLRLN-BJMVGYQFSA-N
    InChI
    1S/C14H15N3O5/c1-3-16(4-2)14(20)10(8-15)5-9-6-11(17(21)22)13(19)12(18)7-9/h5-7,18-19H,3-4H2,1-2H3/b10-5+
    Synonyms
    (2E)-2-Cyano-3-(3,4-dihydroxy-5-nitrophenyl)-N,N-diethyl-2-propenamide | 2-Cyano-N,N-diethyl-3-(3,4-dihydroxy-5-nitro...
  3. Flopropione
    CAS: 2295-58-1 EC Number: 218-942-8 Formula: C9H10O4 Molecular Weight: 182.17
    ● In Stock — US warehouse, ships to EU* Item #: F129636
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    IUPAC Name
    1-(2,4,6-trihydroxyphenyl)propan-1-one
    SMILES
    CCC(=O)C1=C(C=C(C=C1O)O)O
    InChIKey
    PTHLEKANMPKYDB-UHFFFAOYSA-N
    InChI
    1S/C9H10O4/c1-2-6(11)9-7(12)3-5(10)4-8(9)13/h3-4,10,12-13H,2H2,1H3
    Synonyms
    13907 R.P. | FLOPROPIONE [INN] | propanoyl-phloroglucinol | Labrodax | 05V5NVB5Y1 | KBio2_001043 | Pharmakon1600-0150...
  4. U-0521
    CAS: 5466-89-7 PubChem CID: 21632 Formula: C10H12O3 Molecular Weight: 180.20
    ● In Stock — US warehouse, ships to EU* Item #: U344159
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    IUPAC Name
    1-(3,4-dihydroxyphenyl)-2-methylpropan-1-one
    SMILES
    CC(C)C(=O)C1=CC(=C(C=C1)O)O
    InChIKey
    VDQLKIBLTMPAHI-UHFFFAOYSA-N
    InChI
    1S/C10H12O3/c1-6(2)10(13)7-3-4-8(11)9(12)5-7/h3-6,11-12H,1-2H3
    Synonyms
    3',4'-Dihydroxyisobutyrophenone | U 0521 | NSC 27389 | HMS2765J17 | MLS000738074 | 1-(3,4-Dihydroxy-phenyl)-2-methyl-...
  5. 5-Hydroxytryptamine, Agonist of 5-HT 1A receptor;Agonist of 5-HT 1B receptor;Agonist of 5-HT 1D receptor;Agonist of 5-ht 1e receptor;Agonist of 5-HT 1F receptor;Agonist of 5-HT 2A receptor;Agonist of 5-HT 2B receptor;Agonist of 5-HT 2C receptor;Agonist of 5-HT 3A;Agonist of 5
    CAS: 50-67-9 EC Number: 200-058-9 Formula: C10H12N2O Molecular Weight: 176.22
    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%(HPLC)
    ◐ .Made to order · 8–12 wks Item #: H303833
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    IUPAC Name
    3-(2-aminoethyl)-1H-indol-5-ol
    SMILES
    C1=CC2=C(C=C1O)C(=CN2)CCN
    InChIKey
    QZAYGJVTTNCVMB-UHFFFAOYSA-N
    InChI
    1S/C10H12N2O/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10/h1-2,5-6,12-13H,3-4,11H2
    Synonyms
    5-HT | 3-(b-Aminoethyl)-5-hydroxyindole | 5 Hydroxytryptamine | Serotonine | 3-(.beta.-Aminoethyl)-5-hydroxyindole | ...
  6. Rosmarinic acid
    CAS: 20283-92-5 EC Number: 606-487-1 PubChem CID: 5281792 Formula: C18H16O8 Molecular Weight: 360.31
    Solid ≥97%
    ● In Stock — US warehouse, ships to EU* Item #: R109805
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    IUPAC Name
    (2R)-3-(3,4-dihydroxyphenyl)-2-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxypropanoic acid
    SMILES
    OC(=O)[C@@H](Cc1ccc(O)c(O)c1)OC(=O)\C=C\c2ccc(O)c(O)c2
    InChIKey
    DOUMFZQKYFQNTF-WUTVXBCWSA-N
    InChI
    1S/C18H16O8/c19-12-4-1-10(7-14(12)21)3-6-17(23)26-16(18(24)25)9-11-2-5-13(20)15(22)8-11/h1-8,16,19-22H,9H2,(H,24,25)/b6-3+/t16-/m1/s1
    Synonyms
    (2R)-3-(3,4-dihydroxyphenyl)-2-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxypropanoic acid | (2R)-3-(3,4-dihydroxyphen...
  7. Rosmarinic acid
    CAS: 20283-92-5 EC Number: 606-487-1 PubChem CID: 5281792 Formula: C18H16O8 Molecular Weight: 360.31
    Analytical standard ? Analytical standard — certified-purity material for quantitative calibration. Use to prepare calibration standards and validate analytical methods. ≥97%
    ● In Stock — US warehouse, ships to EU* Item #: R109804
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    IUPAC Name
    (2R)-3-(3,4-dihydroxyphenyl)-2-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxypropanoic acid
    SMILES
    OC(=O)[C@@H](Cc1ccc(O)c(O)c1)OC(=O)\C=C\c2ccc(O)c(O)c2
    InChIKey
    DOUMFZQKYFQNTF-WUTVXBCWSA-N
    InChI
    1S/C18H16O8/c19-12-4-1-10(7-14(12)21)3-6-17(23)26-16(18(24)25)9-11-2-5-13(20)15(22)8-11/h1-8,16,19-22H,9H2,(H,24,25)/b6-3+/t16-/m1/s1
    Synonyms
    (2R)-3-(3,4-dihydroxyphenyl)-2-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxypropanoic acid | (2R)-3-(3,4-dihydroxyphen...
  8. Serotonin hydrochloride
    CAS: 153-98-0 EC Number: 628-480-2 PubChem CID: 160436 Formula: C10H12N2O·HCl Molecular Weight: 212.68
    Solid AR ? Analytical Reagent grade — high-purity chemicals meeting strict assay limits for lab analysis. Use when accuracy matters and trace impurities could skew results. 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 #: S111161
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    IUPAC Name
    3-(2-aminoethyl)-1H-indol-5-ol;hydrochloride
    SMILES
    C1=CC2=C(C=C1O)C(=CN2)CCN.Cl
    InChIKey
    MDIGAZPGKJFIAH-UHFFFAOYSA-N
    InChI
    1S/C10H12N2O.ClH/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10;/h1-2,5-6,12-13H,3-4,11H2;1H
    Synonyms
    5-HT hydrochloride | CHEBI:181195 | SR-01000075577-1 | 5-HT HCl | 5-hydroxy tryptamine hydrochloride | A809482 | MFCD...
  9. Tolcapone, Catechol O-methyltransferase inhibitor
    CAS: 134308-13-7 EC Number: 694-343-9 PubChem CID: 4659569 Formula: C14H11NO5 Molecular Weight: 273.24
    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 #: T125285
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    IUPAC Name
    (3,4-dihydroxy-5-nitrophenyl)-(4-methylphenyl)methanone
    SMILES
    CC1=CC=C(C=C1)C(=O)C2=CC(=C(C(=C2)O)O)[N+](=O)[O-]
    InChIKey
    MIQPIUSUKVNLNT-UHFFFAOYSA-N
    InChI
    1S/C14H11NO5/c1-8-2-4-9(5-3-8)13(17)10-6-11(15(19)20)14(18)12(16)7-10/h2-7,16,18H,1H3
    Synonyms
    NCGC00181767-02 | 5-[(4-METHYLPHENYL)CARBONYL]-3-NITROBENZENE-1,2-DIOL | C07949 | TOLCAPONE (USP MONOGRAPH) | N04BX01...
  10. OR-486
    CAS: 7659-29-2 EC Number: 642-347-6 Formula: C6H4N2O6 Molecular Weight: 200.11
    ● In Stock — US warehouse, ships to EU* Item #: O287664
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    IUPAC Name
    3,5-dinitrobenzene-1,2-diol
    SMILES
    C1=C(C=C(C(=C1[N+](=O)[O-])O)O)[N+](=O)[O-]
    InChIKey
    VDCDWNDTNSWDFJ-UHFFFAOYSA-N
    InChI
    1S/C6H4N2O6/c9-5-2-3(7(11)12)1-4(6(5)10)8(13)14/h1-2,9-10H
    Synonyms
    3,5-Dinitropyrocatechol | HMS3372N08 | SMR000326837 | OR486 | OR-486 | NCGC00261162-01 | KBio2_003235 | NCGC00015309-...
  11. (4-Hydroxy-3-methoxy-5-nitrophenyl)(p-tolyl)methanone
    CAS: 134612-80-9 Formula: C15H13NO5 Molecular Weight: 287.27
    ◐ .Made to order · 8–12 wks Item #: H190633
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    IUPAC Name
    (4-hydroxy-3-methoxy-5-nitrophenyl)-(4-methylphenyl)methanone
    SMILES
    CC1=CC=C(C=C1)C(=O)C2=CC(=C(C(=C2)OC)O)[N+](=O)[O-]
    InChIKey
    VCNSNEJUGBEWTA-UHFFFAOYSA-N
    InChI
    1S/C15H13NO5/c1-9-3-5-10(6-4-9)14(17)11-7-12(16(19)20)15(18)13(8-11)21-2/h3-8,18H,1-2H3
    Synonyms
    AKOS025146460 | HY-100642 | FT-0672265 | UNII-F90Q84HN93 | 4-Hydroxy-3-methoxy-4'-methyl-5-nitrobenzophenone | C72371...
  12. (-)-Gallocatechin gallate (GCG)
    CAS: 4233-96-9 EC Number: 636-979-1 Formula: C22H18O11 Molecular Weight: 458.37
    Solid 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 #: G106898
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    IUPAC Name
    [(2S,3R)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate
    SMILES
    C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C(=C3)O)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O
    InChIKey
    WMBWREPUVVBILR-NQIIRXRSSA-N
    InChI
    1S/C22H18O11/c23-10-5-12(24)11-7-18(33-22(31)9-3-15(27)20(30)16(28)4-9)21(32-17(11)6-10)8-1-13(25)19(29)14(26)2-8/h1-6,18,21,23-30H,7H2/t18-,21+/m1/s1
    Synonyms
    (-)-Gallocatechin 3-O-gallate | CCRIS 9286 | (-)-Gallocatechin gallate | Q27166763 | AKOS015901852 | NVP-XAA 225 | A8...
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Frequently Asked Questions

Which compounds are listed for COMT?
Compounds associated with COMT are grouped here under the Metabolic Enzyme/Protease classification, with mechanism, structure, and reported potency shown per entry. Use it as a starting shortlist rather than a final selection.
How does COMT sit within Metabolic Enzyme/Protease?
COMT is one target listing within the Metabolic Enzyme/Protease classification. Compounds here may also appear under related targets, so check the selectivity data rather than assuming the annotation is exclusive.
What data should I check before ordering a compound from COMT?
For compounds listed under COMT, check purity — typically 98% or better by HPLC — the reported potency and the assay it was measured in, solubility and recommended stock solvent, and storage and stability. Batch-specific values are given on the Certificate of Analysis. All products are supplied for professional research and development use only, and are not for use in humans, animals, diagnostics, or therapy.
How do I find related targets or backup compounds for COMT?
Browse the parent Metabolic Enzyme/Protease listing to reach targets neighbouring COMT, and use the structure search to find analogs of a compound that worked. Unlisted compounds and bulk quantities: [email protected]. We supply verified businesses, research institutions, universities, and government agencies.

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