Vitas-M small molecule compound
benzyl 6-({2-[(3-chloro-4-methylphenyl)amino]-2-oxoethyl}sulfanyl)-5-cyano-4-(furan-2-yl)-2-methyl-1,4-dihydropyridine-3-carboxylate
Catalog ID
STK886049
SMILES N#CC1=C(SCC(=O)Nc2ccc(c(c2)Cl)C)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 C28H24ClN3O4S MW 534.04 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H24ClN3O4S/c1-17-10-11-20(13-22(17)29)32-24(33)16-37-27-21(14-30)26(23-9-6-12-35-23)25(18(2)31-27)28(34)36-15-19-7-4-3-5-8-19/h3-13,26,31H,15-16H2,1-2H3,(H,32,33)InChIKey
MVAGHNBEAUZXOM-UHFFFAOYSA-NSynonyms
benzyl6((2((3chloro4methylphenyl)amino)2oxoethyl)sulfanyl)5cyano4(furan2yl)2methyl14dihydropyridine3carboxylate
benzyl6(2(3chloro4methylanilino)2oxoethyl)sulfanyl5cyano4(furan2yl)2methyl14dihydropyridine3carboxylate
CC1=C(C=C(C=C1)NC(=O)CSC2=C(C(C(=C(N2)C)C(=O)OCC3=CC=CC=C3)C4=CC=CO4)C#N)Cl
InChI=1SC28H24ClN3O4Sc117101120(1322(17)29)3224(33)16372721(1430)26(2396123523)25(18(2)3127)28(34)3615197435819h3132631H1516H212H3(H3233)
MFCD10086604
ZINC000102808389
ZINC000102808391
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