Vitas-M small molecule compound
benzyl 5-cyano-6-({2-[(2,6-dimethylphenyl)amino]-2-oxoethyl}sulfanyl)-4-(furan-2-yl)-2-methyl-1,4-dihydropyridine-3-carboxylate
Catalog ID
STK549511
SMILES N#CC1=C(SCC(=O)Nc2c(C)cccc2C)NC(=C(C1c1ccco1)C(=O)OCc1ccccc1)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 C29H27N3O4S MW 513.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H27N3O4S/c1-18-9-7-10-19(2)27(18)32-24(33)17-37-28-22(15-30)26(23-13-8-14-35-23)25(20(3)31-28)29(34)36-16-21-11-5-4-6-12-21/h4-14,26,31H,16-17H2,1-3H3,(H,32,33)InChIKey
HPRSNICVXBVJDG-UHFFFAOYSA-NSynonyms
799772-62-6799772626
benzyl5cyano6((2((26dimethylphenyl)amino)2oxoethyl)sulfanyl)4(furan2yl)2methyl14dihydropyridine3carboxylate
benzyl5cyano6((2((26dimethylphenyl)amino)2oxoethyl)thio)4(furan2yl)2methyl14dihydropyridine3carboxylate
BENZYL5CYANO6(2(26DIMETHYLANILINO)2OXOETHYL)SULFANYL4(FURAN2YL)2METHYL14DIHYDROPYRIDINE3CARBOXYLATE
CC1=C(C(=CC=C1)C)NC(=O)CSC2=C(C(C(=C(N2)C)C(=O)OCC3=CC=CC=C3)C4=CC=CO4)C#N
InChI=1SC29H27N3O4Sc118971019(2)27(18)3224(33)17372822(1530)26(23138143523)25(20(3)3128)29(34)361621115461221h4142631H1617H213H3(H3233)
MFCD03672349
ZINC000020170803
ZINC000020170805
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