Vitas-M small molecule compound
ethyl 6-({2-[(3-chloro-4-methylphenyl)amino]-2-oxoethyl}sulfanyl)-4-(2-chlorophenyl)-5-cyano-2-phenyl-1,4-dihydropyridine-3-carboxylate
Catalog ID
STK886227
SMILES CCOC(=O)C1=C(NC(=C(C1c1ccccc1Cl)C#N)SCC(=O)Nc1ccc(c(c1)Cl)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 C30H25Cl2N3O3S MW 578.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H25Cl2N3O3S/c1-3-38-30(37)27-26(21-11-7-8-12-23(21)31)22(16-33)29(35-28(27)19-9-5-4-6-10-19)39-17-25(36)34-20-14-13-18(2)24(32)15-20/h4-15,26,35H,3,17H2,1-2H3,(H,34,36)InChIKey
XBDLPMNYOQGMSV-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(NC(=C(C1C2=CC=CC=C2Cl)C#N)SCC(=O)NC3=CC(=C(C=C3)C)Cl)C4=CC=CC=C4
ethyl6((2((3chloro4methylphenyl)amino)2oxoethyl)sulfanyl)4(2chlorophenyl)5cyano2phenyl14dihydropyridine3carboxylate
ethyl6(2(3chloro4methylanilino)2oxoethyl)sulfanyl4(2chlorophenyl)5cyano2phenyl14dihydropyridine3carboxylate
InChI=1SC30H25Cl2N3O3Sc133830(37)2726(2111781223(21)31)22(1633)29(3528(27)1995461019)391725(36)3420141318(2)24(32)1520h4152635H317H212H3(H3436)
MFCD05717338
ZINC000101305450
ZINC000101305454
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