Vitas-M small molecule compound
benzyl 4-(4-chlorophenyl)-5-cyano-2-methyl-6-({2-[(2-nitrophenyl)amino]-2-oxoethyl}sulfanyl)-1,4-dihydropyridine-3-carboxylate
Catalog ID
STK826372
SMILES N#CC1=C(SCC(=O)Nc2ccccc2[N+](=O)[O-])NC(=C(C1c1ccc(cc1)Cl)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 C29H23ClN4O5S MW 575.04 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H23ClN4O5S/c1-18-26(29(36)39-16-19-7-3-2-4-8-19)27(20-11-13-21(30)14-12-20)22(15-31)28(32-18)40-17-25(35)33-23-9-5-6-10-24(23)34(37)38/h2-14,27,32H,16-17H2,1H3,(H,33,35)InChIKey
NSFRFDLHUOHMJJ-UHFFFAOYSA-NSynonyms
benzyl4(4chlorophenyl)5cyano2methyl6((2((2nitrophenyl)amino)2oxoethyl)sulfanyl)14dihydropyridine3carboxylate
benzyl4(4chlorophenyl)5cyano2methyl6((2((2nitrophenyl)amino)2oxoethyl)thio)14dihydropyridine3carboxylate
BENZYL4(4CHLOROPHENYL)5CYANO2METHYL6(2(2NITROANILINO)2OXOETHYL)SULFANYL14DIHYDROPYRIDINE3CARBOXYLATE
CC1=C(C(C(=C(N1)SCC(=O)NC2=CC=CC=C2(N+)(=O)(O))C#N)C3=CC=C(C=C3)Cl)C(=O)OCC4=CC=CC=C4
InChI=1SC29H23ClN4O5Sc11826(29(36)3916197324819)27(20111321(30)141220)22(1531)28(3218)401725(35)33239561024(23)34(37)38h2142732H1617H21H3(H3335)
MFCD03669377
N#CC1=C(SCC(=O)Nc2ccccc2(N+)(=O)(O))NC(=C(C1c1ccc(cc1)Cl)C(=O)OCc1ccccc1)C
ZINC000098000123
ZINC000098000124
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