Vitas-M small molecule compound
dimethyl 2-{[N-(4-bromo-3-methylphenyl)-N-(methylsulfonyl)glycyl]amino}benzene-1,4-dicarboxylate
Catalog ID
STL100728
SMILES COC(=O)c1ccc(cc1NC(=O)CN(S(=O)(=O)C)c1ccc(c(c1)C)Br)C(=O)OC
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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 C20H21BrN2O7S MW 513.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H21BrN2O7S/c1-12-9-14(6-8-16(12)21)23(31(4,27)28)11-18(24)22-17-10-13(19(25)29-2)5-7-15(17)20(26)30-3/h5-10H,11H2,1-4H3,(H,22,24)InChIKey
IYFFRQRCYCVXEY-UHFFFAOYSA-NSynonyms
CC1=C(C=CC(=C1)N(CC(=O)NC2=C(C=CC(=C2)C(=O)OC)C(=O)OC)S(=O)(=O)C)Br
DIMETHYL2((2(4BROMO3METHYLNMETHYLSULFONYLANILINO)ACETYL)AMINO)BENZENE14DICARBOXYLATE
dimethyl2((N(4bromo3methylphenyl)N(methylsulfonyl)glycyl)amino)benzene14dicarboxylate
InChI=1SC20H21BrN2O7Sc112914(6816(12)21)23(31(427)28)1118(24)22171013(19(25)292)5715(17)20(26)303h510H11H214H3(H2224)
MFCD06629053
ZINC000016282130
ZINC16282130
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