Vitas-M small molecule compound
benzyl 4-(4-chlorophenyl)-5-cyano-6-({2-[(2-ethoxyphenyl)amino]-2-oxoethyl}sulfanyl)-2-methyl-1,4-dihydropyridine-3-carboxylate
Catalog ID
STK826495
SMILES CCOc1ccccc1NC(=O)CSC1=C(C#N)C(C(=C(N1)C)C(=O)OCc1ccccc1)c1ccc(cc1)Cl
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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 C31H28ClN3O4S MW 574.10 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H28ClN3O4S/c1-3-38-26-12-8-7-11-25(26)35-27(36)19-40-30-24(17-33)29(22-13-15-23(32)16-14-22)28(20(2)34-30)31(37)39-18-21-9-5-4-6-10-21/h4-16,29,34H,3,18-19H2,1-2H3,(H,35,36)InChIKey
QJHBIYRFGXDCGX-UHFFFAOYSA-NSynonyms
benzyl4(4chlorophenyl)5cyano6((2((2ethoxyphenyl)amino)2oxoethyl)sulfanyl)2methyl14dihydropyridine3carboxylate
benzyl4(4chlorophenyl)5cyano6(2(2ethoxyanilino)2oxoethyl)sulfanyl2methyl14dihydropyridine3carboxylate
CCOC1=CC=CC=C1NC(=O)CSC2=C(C(C(=C(N2)C)C(=O)OCC3=CC=CC=C3)C4=CC=C(C=C4)Cl)C#N
InChI=1SC31H28ClN3O4Sc13382612871125(26)3527(36)19403024(1733)29(22131523(32)161422)28(20(2)3430)31(37)39182195461021h4162934H31819H212H3(H3536)
MFCD10086441
ZINC000098048713
ZINC000098048714
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