Vitas-M small molecule compound
6-({2-[(4-butylphenyl)amino]-2-oxoethyl}sulfanyl)-5-cyano-N-(2-methoxyphenyl)-2-methyl-4-phenyl-1,4-dihydropyridine-3-carboxamide
Catalog ID
STK826472
SMILES CCCCc1ccc(cc1)NC(=O)CSC1=C(C#N)C(C(=C(N1)C)C(=O)Nc1ccccc1OC)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 C33H34N4O3S MW 566.72 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H34N4O3S/c1-4-5-11-23-16-18-25(19-17-23)36-29(38)21-41-33-26(20-34)31(24-12-7-6-8-13-24)30(22(2)35-33)32(39)37-27-14-9-10-15-28(27)40-3/h6-10,12-19,31,35H,4-5,11,21H2,1-3H3,(H,36,38)(H,37,39)InChIKey
AMHJQKGLRKFNKA-UHFFFAOYSA-NSynonyms
6((2((4butylphenyl)amino)2oxoethyl)sulfanyl)5cyanoN(2methoxyphenyl)2methyl4phenyl14dihydropyridine3carboxamide
6(2(4butylanilino)2oxoethyl)sulfanyl5cyanoN(2methoxyphenyl)2methyl4phenyl14dihydropyridine3carboxamide
CCCCC1=CC=C(C=C1)NC(=O)CSC2=C(C(C(=C(N2)C)C(=O)NC3=CC=CC=C3OC)C4=CC=CC=C4)C#N
InChI=1SC33H34N4O3Sc1451123161825(191723)3629(38)21413326(2034)31(24127681324)30(22(2)3533)32(39)3727149101528(27)403h61012193135H451121H213H3(H3638)(H3739)
MFCD10086416
ZINC000098048678
ZINC000098048679
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