Azolines

Description:

Azole derivatives obtained by conversion of one double bond of the azole ring to a single bond.

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  1. 3-(trideuteriomethyl)-1H-imidazole-2-thione
    CAS: 1160932-07-9 PubChem CID: 42641318 Formula: C4H3D3N2S Molecular Weight: 117.19
    Out of Stock Item #: T1304502
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    Technical Identifiers
    IUPAC Name
    3-(trideuteriomethyl)-1H-imidazole-2-thione
    SMILES
    CN1C=CNC1=S
    InChIKey
    PMRYVIKBURPHAH-FIBGUPNXSA-N
    InChI
    1S/C4H6N2S/c1-6-3-2-5-4(6)7/h2-3H,1H3,(H,5,7)/i1D3
  2. C.I. Solvent Yellow 93
    CAS: 4702-90-3 EC Number: 225-184-1 Formula: C21H18N4O2 Molecular Weight: 358.4
    Out of Stock Item #: C1326182
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    IUPAC Name
    (4E)-5-methyl-4-[(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)methylidene]-2-phenylpyrazol-3-one
    SMILES
    CC1=NN(C(=O)C1/C=C/2\C(=NN(C2=O)C3=CC=CC=C3)C)C4=CC=CC=C4
    InChIKey
    QPAPQRFSPBUJAU-CPNJWEJPSA-N
    InChI
    1S/C21H18N4O2/c1-14-18(20(26)24(22-14)16-9-5-3-6-10-16)13-19-15(2)23-25(21(19)27)17-11-7-4-8-12-17/h3-13,18H,1-2H3/b19-13+
  3. 3,4-Dimethyl-5-pyrazolone
    CAS: 6628-22-4 PubChem CID: 97947 Formula: C5H8N2O
    Solid ≥97%
    Out of Stock Item #: D770702
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    IUPAC Name
    3,4-dimethyl-1,4-dihydropyrazol-5-one
    SMILES
    CC1C(=NNC1=O)C
    InChIKey
    PRCIXKQBKWRGMA-UHFFFAOYSA-N
    InChI
    1S/C5H8N2O/c1-3-4(2)6-7-5(3)8/h3H,1-2H3,(H,7,8)
  4. Rilmenidine
    CAS: 54187-04-1 EC Number: 259-021-0 PubChem CID: 68712 Formula: C10H16N2O·0.5C4H4O4 Molecular Weight: 238.28
    Out of Stock Item #: R769888
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    IUPAC Name
    N-(dicyclopropylmethyl)-4,5-dihydro-1,3-oxazol-2-amine
    SMILES
    C1CC1C(C2CC2)NC3=NCCO3
    InChIKey
    CQXADFVORZEARL-UHFFFAOYSA-N
    InChI
    1S/C10H16N2O/c1-2-7(1)9(8-3-4-8)12-10-11-5-6-13-10/h7-9H,1-6H2,(H,11,12)
  5. 3-chloro-5,5-dimethyl-4,5-dihydro-1,2-oxazole
    CAS: 326829-08-7 PubChem CID: 11665417 Formula: C5H8ClNO Molecular Weight: 133.57
    Liquid ≥95%
    Out of Stock Item #: C769142
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    IUPAC Name
    3-chloro-5,5-dimethyl-4H-1,2-oxazole
    SMILES
    CC1(CC(=NO1)Cl)C
    InChIKey
    YMCWJQIZJIKFHO-UHFFFAOYSA-N
    InChI
    1S/C5H8ClNO/c1-5(2)3-4(6)7-8-5/h3H2,1-2H3
  6. Edaravone-d5
    CAS: 1228765-67-0 Formula: C10D5H5N2O Molecular Weight: 179.23
    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 atom% D,≥98%(CP)
    In Stock Item #: E757791
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    IUPAC Name
    5-methyl-2-(2,3,4,5,6-pentadeuteriophenyl)-4H-pyrazol-3-one
    SMILES
    CC1=NN(C(=O)C1)C2=CC=CC=C2
    InChIKey
    QELUYTUMUWHWMC-VIQYUKPQSA-N
    InChI
    1S/C10H10N2O/c1-8-7-10(13)12(11-8)9-5-3-2-4-6-9/h2-6H,7H2,1H3/i2D,3D,4D,5D,6D
    Synonyms
    5-methyl-2-(2,3,4,5,6-pentadeuteriophenyl)-4H-pyrazol-3-one | 5-Methyl-2-(phenyl-d5)-2,4-dihydro-3H-pyrazol-3-one
  7. 1-(4,5-Dihydrothiazol-2-yl)azetidine-3-thiol hydrochloride
    CAS: 179337-57-6 PubChem CID: 11974883 Formula: C6H11ClN2S2 Molecular Weight: 210.75
    Solid ≥98%
    Out of Stock Item #: A726403
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    IUPAC Name
    1-(4,5-dihydro-1,3-thiazol-2-yl)azetidine-3-thiol;hydrochloride
    SMILES
    C1CSC(=N1)N2CC(C2)S.Cl
    InChIKey
    WLQPQHGYHHHITD-UHFFFAOYSA-N
    InChI
    1S/C6H10N2S2.ClH/c9-5-3-8(4-5)6-7-1-2-10-6;/h5,9H,1-4H2;1H
  8. 3-Cyclopropyl-4,5-Dihydro-1H-Pyrazol-5-One
    CAS: 199125-36-5 PubChem CID: 12065262 Formula: C6H8N2O Molecular Weight: 124.14
    Out of Stock Item #: C726459
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    IUPAC Name
    5-cyclopropyl-1,2-dihydropyrazol-3-one
    SMILES
    C1CC1C2=CC(=O)NN2
    InChIKey
    ONAVRRIFDWJRIC-UHFFFAOYSA-N
    InChI
    1S/C6H8N2O/c9-6-3-5(7-8-6)4-1-2-4/h3-4H,1-2H2,(H2,7,8,9)
  9. 2-Methyl-2-propanyl [(3-bromo-4,5-dihydro-1,2-oxazol-5-yl)methyl]carbamate
    CAS: 109770-82-3 PubChem CID: 13637723 Formula: C9H15BrN2O3 Molecular Weight: 279.14
    Out of Stock Item #: M727615
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    IUPAC Name
    tert-butyl N-[(3-bromo-4,5-dihydro-1,2-oxazol-5-yl)methyl]carbamate
    SMILES
    CC(C)(C)OC(=O)NCC1CC(=NO1)Br
    InChIKey
    AHAHZEKELWWMSJ-UHFFFAOYSA-N
    InChI
    1S/C9H15BrN2O3/c1-9(2,3)14-8(13)11-5-6-4-7(10)12-15-6/h6H,4-5H2,1-3H3,(H,11,13)
  10. Ethyl 5-oxo-4,5-dihydro-1H-pyrazole-3-carboxylate
    CAS: 58607-90-2 Formula: C6H8N2O3 Molecular Weight: 156.14
    Solid ≥95%
    Out of Stock Item #: E696478
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    IUPAC Name
    ethyl 5-oxo-1,4-dihydropyrazole-3-carboxylate
    SMILES
    CCOC(=O)C1=NNC(=O)C1
    InChIKey
    KNWNWWDKWKYUBB-UHFFFAOYSA-N
    InChI
    1S/C6H8N2O3/c1-2-11-6(10)4-3-5(9)8-7-4/h2-3H2,1H3,(H,8,9)
    Synonyms
    Ethyl 5-oxo-5H-pyrazole-3-carboxylate
  11. 2-(sec-Butyl)-4,5-dihydrothiazole
    CAS: 56367-27-2 PubChem CID: 162148 Formula: C7H13NS Molecular Weight: 143.25
    Out of Stock Item #: D696072
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    IUPAC Name
    2-butan-2-yl-4,5-dihydro-1,3-thiazole
    SMILES
    CCC(C)C1=NCCS1
    InChIKey
    SAWWKXMIPYUIBW-UHFFFAOYSA-N
    InChI
    1S/C7H13NS/c1-3-6(2)7-8-4-5-9-7/h6H,3-5H2,1-2H3
  12. tert-butyl 3-hydroxy-6,7-dihydro-1H-pyrazolo[4,3-c]pyridine-5(4H)-carboxylate
    CAS: 152559-30-3 PubChem CID: 384447 Formula: C11H17N3O3 Molecular Weight: 239.28
    Solid ≥95%
    Out of Stock Item #: T697591
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    Technical Identifiers
    IUPAC Name
    tert-butyl 3-oxo-2,4,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-5-carboxylate
    SMILES
    CC(C)(C)OC(=O)N1CCC2=C(C1)C(=O)NN2
    InChIKey
    DTLXVAXCKABFRY-UHFFFAOYSA-N
    InChI
    1S/C11H17N3O3/c1-11(2,3)17-10(16)14-5-4-8-7(6-14)9(15)13-12-8/h4-6H2,1-3H3,(H2,12,13,15)
    Synonyms
    3-Oxo-1,2,3,4,6,7-hexahydro-pyrazolo[4,3-c]pyridine-5-carboxylic acid tert-butyl ester
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