Vitas-M small molecule compound
ethyl 6-({2-[(3-chloro-2-methylphenyl)amino]-2-oxoethyl}sulfanyl)-4-(4-chlorophenyl)-5-cyano-2-phenyl-1,4-dihydropyridine-3-carboxylate
Catalog ID
STK826376
SMILES CCOC(=O)C1=C(NC(=C(C1c1ccc(cc1)Cl)C#N)SCC(=O)Nc1cccc(c1C)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 C30H25Cl2N3O3S MW 578.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H25Cl2N3O3S/c1-3-38-30(37)27-26(19-12-14-21(31)15-13-19)22(16-33)29(35-28(27)20-8-5-4-6-9-20)39-17-25(36)34-24-11-7-10-23(32)18(24)2/h4-15,26,35H,3,17H2,1-2H3,(H,34,36)InChIKey
PGWPAJVEDSHMQD-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(NC(=C(C1C2=CC=C(C=C2)Cl)C#N)SCC(=O)NC3=C(C(=CC=C3)Cl)C)C4=CC=CC=C4
ethyl6((2((3chloro2methylphenyl)amino)2oxoethyl)sulfanyl)4(4chlorophenyl)5cyano2phenyl14dihydropyridine3carboxylate
ethyl6(2(3chloro2methylanilino)2oxoethyl)sulfanyl4(4chlorophenyl)5cyano2phenyl14dihydropyridine3carboxylate
InChI=1SC30H25Cl2N3O3Sc133830(37)2726(19121421(31)151319)22(1633)29(3528(27)208546920)391725(36)34241171023(32)18(24)2h4152635H317H212H3(H3436)
MFCD10086264
ZINC000101555316
ZINC000101555320
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