Vitas-M small molecule compound
benzyl 4-(4-chlorophenyl)-5-cyano-6-({2-[(4-methoxy-2-nitrophenyl)amino]-2-oxoethyl}sulfanyl)-2-methyl-1,4-dihydropyridine-3-carboxylate
Catalog ID
STK885905
SMILES N#CC1=C(SCC(=O)Nc2ccc(cc2[N+](=O)[O-])OC)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 C30H25ClN4O6S MW 605.07 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H25ClN4O6S/c1-18-27(30(37)41-16-19-6-4-3-5-7-19)28(20-8-10-21(31)11-9-20)23(15-32)29(33-18)42-17-26(36)34-24-13-12-22(40-2)14-25(24)35(38)39/h3-14,28,33H,16-17H2,1-2H3,(H,34,36)InChIKey
OSILNZCXZUCLPT-UHFFFAOYSA-NSynonyms
benzyl4(4chlorophenyl)5cyano6((2((4methoxy2nitrophenyl)amino)2oxoethyl)sulfanyl)2methyl14dihydropyridine3carboxylate
benzyl4(4chlorophenyl)5cyano6(2(4methoxy2nitroanilino)2oxoethyl)sulfanyl2methyl14dihydropyridine3carboxylate
CC1=C(C(C(=C(N1)SCC(=O)NC2=C(C=C(C=C2)OC)(N+)(=O)(O))C#N)C3=CC=C(C=C3)Cl)C(=O)OCC4=CC=CC=C4
InChI=1SC30H25ClN4O6Sc11827(30(37)4116196435719)28(2081021(31)11920)23(1532)29(3318)421726(36)3424131222(402)1425(24)35(38)39h3142833H1617H212H3(H3436)
MFCD10086453
N#CC1=C(SCC(=O)Nc2ccc(cc2(N+)(=O)(O))OC)NC(=C(C1c1ccc(cc1)Cl)C(=O)OCc1ccccc1)C
ZINC000098048725
ZINC000098048726
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