Vitas-M small molecule compound
2-(1,3-benzodioxol-5-yl)-N-{3-cyano-5-methyl-4-[4-(propan-2-yl)phenyl]thiophen-2-yl}quinoline-4-carboxamide
Catalog ID
STK428780
SMILES N#Cc1c(NC(=O)c2cc(nc3c2cccc3)c2ccc3c(c2)OCO3)sc(c1c1ccc(cc1)C(C)C)C
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C32H25N3O3S MW 531.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H25N3O3S/c1-18(2)20-8-10-21(11-9-20)30-19(3)39-32(25(30)16-33)35-31(36)24-15-27(34-26-7-5-4-6-23(24)26)22-12-13-28-29(14-22)38-17-37-28/h4-15,18H,17H2,1-3H3,(H,35,36)InChIKey
AOMLKRGBNWLMLQ-UHFFFAOYSA-NSynonyms
(2(2HBENZO(34D)13DIOXOLEN5YL)(4QUINOLYL))N(3CYANO5METHYL4(4(METHYLETHYL)PHENYL)(2THIENYL))CARBOXAMIDE
2(13BENZODIOXOL5YL)N(3CYANO4(4ISOPROPYLPHENYL)5METHYL2THIENYL)4QUINOLINECARBOXAMIDE
2(13benzodioxol5yl)N(3cyano5methyl4(4(propan2yl)phenyl)thiophen2yl)quinoline4carboxamide
2(13BENZODIOXOL5YL)N(3CYANO5METHYL4(4PROPAN2YLPHENYL)THIOPHEN2YL)QUINOLINE4CARBOXAMIDE
CC1=C(C(=C(S1)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC5=C(C=C4)OCO5)C#N)C6=CC=C(C=C6)C(C)C
InChI=1SC32H25N3O3Sc118(2)2081021(11920)3019(3)3932(25(30)1633)3531(36)241527(3426754623(24)26)2212132829(1422)38173728h41518H17H213H3(H3536)
MFCD03233334
ZINC000002794833
ZINC02794833
ZINC2794833
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