Vitas-M small molecule compound
ethyl 5-cyano-6-{[2-(diphenylamino)-2-oxoethyl]sulfanyl}-4-(4-methylphenyl)-2-phenyl-1,4-dihydropyridine-3-carboxylate
Catalog ID
STK886007
SMILES CCOC(=O)C1=C(NC(=C(C1c1ccc(cc1)C)C#N)SCC(=O)N(c1ccccc1)c1ccccc1)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 C36H31N3O3S MW 585.73 g/mol Purity >90% as per NMR
InChI
InChI=1S/C36H31N3O3S/c1-3-42-36(41)33-32(26-21-19-25(2)20-22-26)30(23-37)35(38-34(33)27-13-7-4-8-14-27)43-24-31(40)39(28-15-9-5-10-16-28)29-17-11-6-12-18-29/h4-22,32,38H,3,24H2,1-2H3InChIKey
PSHYACFJFNMWFJ-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(NC(=C(C1C2=CC=C(C=C2)C)C#N)SCC(=O)N(C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5
ethyl5cyano4(4methylphenyl)6(2oxo2(Nphenylanilino)ethyl)sulfanyl2phenyl14dihydropyridine3carboxylate
ethyl5cyano6((2(diphenylamino)2oxoethyl)sulfanyl)4(4methylphenyl)2phenyl14dihydropyridine3carboxylate
InChI=1SC36H31N3O3Sc134236(41)3332(26211925(2)202226)30(2337)35(3834(33)27137481427)432431(40)39(281595101628)2917116121829h4223238H324H212H3
MFCD10086545
ZINC000102384381
ZINC000102384384
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