Vitas-M small molecule compound
benzyl 5-cyano-4-(furan-2-yl)-2-methyl-6-({2-[(2-nitrophenyl)amino]-2-oxoethyl}sulfanyl)-1,4-dihydropyridine-3-carboxylate
Catalog ID
STL001771
SMILES N#CC1=C(SCC(=O)Nc2ccccc2[N+](=O)[O-])NC(=C(C1c1ccco1)C(=O)OCc1ccccc1)C
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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)37-15-18-8-3-2-4-9-18)25(22-12-7-13-36-22)19(14-28)26(29-17)38-16-23(32)30-20-10-5-6-11-21(20)31(34)35/h2-13,25,29H,15-16H2,1H3,(H,30,32)InChIKey
RMQVNMRYYQOOCT-UHFFFAOYSA-NSynonyms
796878-46-1796878461
benzyl5cyano4(furan2yl)2methyl6((2((2nitrophenyl)amino)2oxoethyl)sulfanyl)14dihydropyridine3carboxylate
benzyl5cyano4(furan2yl)2methyl6((2((2nitrophenyl)amino)2oxoethyl)thio)14dihydropyridine3carboxylate
BENZYL5CYANO4(FURAN2YL)2METHYL6(2(2NITROANILINO)2OXOETHYL)SULFANYL14DIHYDROPYRIDINE3CARBOXYLATE
CC1=C(C(C(=C(N1)SCC(=O)NC2=CC=CC=C2(N+)(=O)(O))C#N)C3=CC=CO3)C(=O)OCC4=CC=CC=C4
InChI=1SC27H22N4O6Sc11724(27(33)3715188324918)25(22127133622)19(1428)26(2917)381623(32)302010561121(20)31(34)35h2132529H1516H21H3(H3032)
MFCD03669601
N#CC1=C(SCC(=O)Nc2ccccc2(N+)(=O)(O))NC(=C(C1c1ccco1)C(=O)OCc1ccccc1)C
ZINC000097951861
ZINC000097951862
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