Vitas-M small molecule compound
benzyl 5-cyano-6-({2-[(4-ethylphenyl)amino]-2-oxoethyl}sulfanyl)-2-methyl-4-[4-(propan-2-yl)phenyl]-1,4-dihydropyridine-3-carboxylate
Catalog ID
STK538185
SMILES CCc1ccc(cc1)NC(=O)CSC1=C(C#N)C(C(=C(N1)C)C(=O)OCc1ccccc1)c1ccc(cc1)C(C)C
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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 C34H35N3O3S MW 565.74 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H35N3O3S/c1-5-24-11-17-28(18-12-24)37-30(38)21-41-33-29(19-35)32(27-15-13-26(14-16-27)22(2)3)31(23(4)36-33)34(39)40-20-25-9-7-6-8-10-25/h6-18,22,32,36H,5,20-21H2,1-4H3,(H,37,38)InChIKey
PEJAEDTWIBYMMD-UHFFFAOYSA-NSynonyms
benzyl5cyano6((2((4ethylphenyl)amino)2oxoethyl)sulfanyl)2methyl4(4(propan2yl)phenyl)14dihydropyridine3carboxylate
benzyl5cyano6((2((4ethylphenyl)amino)2oxoethyl)thio)4(4isopropylphenyl)2methyl14dihydropyridine3carboxylate
BENZYL5CYANO6(2(4ETHYLANILINO)2OXOETHYL)SULFANYL2METHYL4(4PROPAN2YLPHENYL)14DIHYDROPYRIDINE3CARBOXYLATE
CCC1=CC=C(C=C1)NC(=O)CSC2=C(C(C(=C(N2)C)C(=O)OCC3=CC=CC=C3)C4=CC=C(C=C4)C(C)C)C#N
InChI=1SC34H35N3O3Sc1524111728(181224)3730(38)21413329(1935)32(27151326(141627)22(2)3)31(23(4)3633)34(39)40202597681025h618223236H52021H214H3(H3738)
MFCD03000196
ZINC000102422595
ZINC000102422597
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