Vitas-M small molecule compound
benzyl 5-cyano-4-(furan-2-yl)-2-methyl-6-({2-[(4-nitrophenyl)amino]-2-oxoethyl}sulfanyl)-1,4-dihydropyridine-3-carboxylate
Catalog ID
STK549353
SMILES N#CC1=C(SCC(=O)Nc2ccc(cc2)[N+](=O)[O-])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 C27H22N4O6S MW 530.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H22N4O6S/c1-17-24(27(33)37-15-18-6-3-2-4-7-18)25(22-8-5-13-36-22)21(14-28)26(29-17)38-16-23(32)30-19-9-11-20(12-10-19)31(34)35/h2-13,25,29H,15-16H2,1H3,(H,30,32)InChIKey
CJDFIVWFPWOFAV-UHFFFAOYSA-NSynonyms
693238-55-0693238550
benzyl5cyano4(furan2yl)2methyl6((2((4nitrophenyl)amino)2oxoethyl)sulfanyl)14dihydropyridine3carboxylate
benzyl5cyano4(furan2yl)2methyl6((2((4nitrophenyl)amino)2oxoethyl)thio)14dihydropyridine3carboxylate
BENZYL5CYANO4(FURAN2YL)2METHYL6(2(4NITROANILINO)2OXOETHYL)SULFANYL14DIHYDROPYRIDINE3CARBOXYLATE
CC1=C(C(C(=C(N1)SCC(=O)NC2=CC=C(C=C2)(N+)(=O)(O))C#N)C3=CC=CO3)C(=O)OCC4=CC=CC=C4
InChI=1SC27H22N4O6Sc11724(27(33)3715186324718)25(2285133622)21(1428)26(2917)381623(32)301991120(121019)31(34)35h2132529H1516H21H3(H3032)
MFCD03671588
N#CC1=C(SCC(=O)Nc2ccc(cc2)(N+)(=O)(O))NC(=C(C1c1ccco1)C(=O)OCc1ccccc1)C
ZINC000059735474
ZINC000059735482
Check stock
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Check stock on Vitas-MAvailable files
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