Vitas-M small molecule compound
methyl 5-cyano-6-{[2-(diphenylamino)-2-oxoethyl]sulfanyl}-4-(2-ethoxyphenyl)-2-methyl-1,4-dihydropyridine-3-carboxylate
Catalog ID
STK827649
SMILES CCOc1ccccc1C1C(=C(SCC(=O)N(c2ccccc2)c2ccccc2)NC(=C1C(=O)OC)C)C#N
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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 C31H29N3O4S MW 539.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H29N3O4S/c1-4-38-26-18-12-11-17-24(26)29-25(19-32)30(33-21(2)28(29)31(36)37-3)39-20-27(35)34(22-13-7-5-8-14-22)23-15-9-6-10-16-23/h5-18,29,33H,4,20H2,1-3H3InChIKey
KUJHAJDCSDEQER-UHFFFAOYSA-NSynonyms
CCOC1=CC=CC=C1C2C(=C(NC(=C2C(=O)OC)C)SCC(=O)N(C3=CC=CC=C3)C4=CC=CC=C4)C#N
InChI=1SC31H29N3O4Sc1438261812111724(26)2925(1932)30(3321(2)28(29)31(36)373)392027(35)34(22137581422)231596101623h5182933H420H213H3
METHYL5CYANO4(2ETHOXYPHENYL)2METHYL6(2OXO2(NPHENYLANILINO)ETHYL)SULFANYL14DIHYDROPYRIDINE3CARBOXYLATE
methyl5cyano6((2(diphenylamino)2oxoethyl)sulfanyl)4(2ethoxyphenyl)2methyl14dihydropyridine3carboxylate
MFCD06668698
ZINC000098045717
ZINC000098045718
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