Vitas-M small molecule compound
ethyl 4-(2-chlorophenyl)-5-cyano-6-({2-[(4-ethylphenyl)amino]-2-oxoethyl}sulfanyl)-2-phenyl-1,4-dihydropyridine-3-carboxylate
Catalog ID
STK826745
SMILES CCOC(=O)C1=C(NC(=C(C1c1ccccc1Cl)C#N)SCC(=O)Nc1ccc(cc1)CC)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/c1-3-20-14-16-22(17-15-20)34-26(36)19-39-30-24(18-33)27(23-12-8-9-13-25(23)32)28(31(37)38-4-2)29(35-30)21-10-6-5-7-11-21/h5-17,27,35H,3-4,19H2,1-2H3,(H,34,36)InChIKey
BVUXLCZDRDEJPO-UHFFFAOYSA-NSynonyms
CCC1=CC=C(C=C1)NC(=O)CSC2=C(C(C(=C(N2)C3=CC=CC=C3)C(=O)OCC)C4=CC=CC=C4Cl)C#N
ethyl4(2chlorophenyl)5cyano6((2((4ethylphenyl)amino)2oxoethyl)sulfanyl)2phenyl14dihydropyridine3carboxylate
ethyl4(2chlorophenyl)5cyano6(2(4ethylanilino)2oxoethyl)sulfanyl2phenyl14dihydropyridine3carboxylate
InChI=1SC31H28ClN3O3Sc1320141622(171520)3426(36)19393024(1833)27(2312891325(23)32)28(31(37)3842)29(3530)21106571121h5172735H3419H212H3(H3436)
MFCD05717332
ZINC000101305426
ZINC000101305427
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