Vitas-M small molecule compound

methyl 3-{[N-(2-bromophenyl)-N-(methylsulfonyl)glycyl]amino}-4-chlorobenzoate

Catalog ID
STL118671
SMILES COC(=O)c1ccc(c(c1)NC(=O)CN(S(=O)(=O)C)c1ccccc1Br)Cl

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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 C17H16BrClN2O5S MW 475.75 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H16BrClN2O5S/c1-26-17(23)11-7-8-13(19)14(9-11)20-16(22)10-21(27(2,24)25)15-6-4-3-5-12(15)18/h3-9H,10H2,1-2H3,(H,20,22)
InChIKey
QTRUQKRBELKLRI-UHFFFAOYSA-N
Synonyms

COC(=O)C1=CC(=C(C=C1)Cl)NC(=O)CN(C2=CC=CC=C2Br)S(=O)(=O)C
InChI=1SC17H16BrClN2O5Sc12617(23)117813(19)14(911)2016(22)1021(27(224)25)15643512(15)18h39H10H212H3(H2022)
METHYL3((2(2BROMONMETHYLSULFONYLANILINO)ACETYL)AMINO)4CHLOROBENZOATE
methyl3((N(2bromophenyl)N(methylsulfonyl)glycyl)amino)4chlorobenzoate
MFCD04360219
ZINC000016194099
ZINC16194099

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.