Vitas-M small molecule compound
ethyl 4-(2-chlorophenyl)-5-cyano-6-({2-[(3,4-dichlorophenyl)amino]-2-oxoethyl}sulfanyl)-2-phenyl-1,4-dihydropyridine-3-carboxylate
Catalog ID
STK886419
SMILES CCOC(=O)C1=C(NC(=C(C1c1ccccc1Cl)C#N)SCC(=O)Nc1ccc(c(c1)Cl)Cl)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 C29H22Cl3N3O3S MW 598.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H22Cl3N3O3S/c1-2-38-29(37)26-25(19-10-6-7-11-21(19)30)20(15-33)28(35-27(26)17-8-4-3-5-9-17)39-16-24(36)34-18-12-13-22(31)23(32)14-18/h3-14,25,35H,2,16H2,1H3,(H,34,36)InChIKey
JPUKVEQBTDFPMM-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(NC(=C(C1C2=CC=CC=C2Cl)C#N)SCC(=O)NC3=CC(=C(C=C3)Cl)Cl)C4=CC=CC=C4
ethyl4(2chlorophenyl)5cyano6((2((34dichlorophenyl)amino)2oxoethyl)sulfanyl)2phenyl14dihydropyridine3carboxylate
ethyl4(2chlorophenyl)5cyano6(2(34dichloroanilino)2oxoethyl)sulfanyl2phenyl14dihydropyridine3carboxylate
InChI=1SC29H22Cl3N3O3Sc123829(37)2625(1910671121(19)30)20(1533)28(3527(26)178435917)391624(36)3418121322(31)23(32)1418h3142535H216H21H3(H3436)
MFCD10086855
ZINC000101562993
ZINC000101562997
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