Vitas-M small molecule compound
ethyl 4-(2-chlorophenyl)-5-cyano-6-({2-[(3,4-dimethylphenyl)amino]-2-oxoethyl}sulfanyl)-2-phenyl-1,4-dihydropyridine-3-carboxylate
Catalog ID
STK886222
SMILES CCOC(=O)C1=C(NC(=C(C1c1ccccc1Cl)C#N)SCC(=O)Nc1ccc(c(c1)C)C)c1ccccc1
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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 C31H28ClN3O3S MW 558.10 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H28ClN3O3S/c1-4-38-31(37)28-27(23-12-8-9-13-25(23)32)24(17-33)30(35-29(28)21-10-6-5-7-11-21)39-18-26(36)34-22-15-14-19(2)20(3)16-22/h5-16,27,35H,4,18H2,1-3H3,(H,34,36)InChIKey
SRKSUMSACOJZKM-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(NC(=C(C1C2=CC=CC=C2Cl)C#N)SCC(=O)NC3=CC(=C(C=C3)C)C)C4=CC=CC=C4
ethyl4(2chlorophenyl)5cyano6((2((34dimethylphenyl)amino)2oxoethyl)sulfanyl)2phenyl14dihydropyridine3carboxylate
ethyl4(2chlorophenyl)5cyano6(2(34dimethylanilino)2oxoethyl)sulfanyl2phenyl14dihydropyridine3carboxylate
InChI=1SC31H28ClN3O3Sc143831(37)2827(2312891325(23)32)24(1733)30(3529(28)21106571121)391826(36)3422151419(2)20(3)1622h5162735H418H213H3(H3436)
MFCD05717334
ZINC000101305171
ZINC000101305174
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