Vitas-M small molecule compound
methyl 5-cyano-6-({2-[(3,4-dimethylphenyl)amino]-2-oxoethyl}sulfanyl)-4-(2-ethoxyphenyl)-2-methyl-1,4-dihydropyridine-3-carboxylate
Catalog ID
STK887299
SMILES CCOc1ccccc1C1C(=C(SCC(=O)Nc2ccc(c(c2)C)C)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 C27H29N3O4S MW 491.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H29N3O4S/c1-6-34-22-10-8-7-9-20(22)25-21(14-28)26(29-18(4)24(25)27(32)33-5)35-15-23(31)30-19-12-11-16(2)17(3)13-19/h7-13,25,29H,6,15H2,1-5H3,(H,30,31)InChIKey
ANUMXGNRZWHMCA-UHFFFAOYSA-NSynonyms
442557-60-0442557600
CCOC1=CC=CC=C1C2C(=C(NC(=C2C(=O)OC)C)SCC(=O)NC3=CC(=C(C=C3)C)C)C#N
InChI=1SC27H29N3O4Sc1634221087920(22)2521(1428)26(2918(4)24(25)27(32)335)351523(31)3019121116(2)17(3)1319h7132529H615H215H3(H3031)
methyl5cyano6((2((34dimethylphenyl)amino)2oxoethyl)sulfanyl)4(2ethoxyphenyl)2methyl14dihydropyridine3carboxylate
METHYL5CYANO6((2((34DIMETHYLPHENYL)AMINO)2OXOETHYL)THIO)4(2ETHOXYPHENYL)2METHYL14DIHYDROPYRIDINE3CARBOXYLATE
METHYL5CYANO6(2(34DIMETHYLANILINO)2OXOETHYL)SULFANYL4(2ETHOXYPHENYL)2METHYL14DIHYDROPYRIDINE3CARBOXYLATE
MFCD03980835
ZINC000020255694
ZINC000020255697
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