Vitas-M small molecule compound

methyl 3-{[N-(4-bromo-3-methylphenyl)-N-(methylsulfonyl)glycyl]amino}-2-methylbenzoate

Catalog ID
STL114082
SMILES COC(=O)c1cccc(c1C)NC(=O)CN(S(=O)(=O)C)c1ccc(c(c1)C)Br

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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 C19H21BrN2O5S MW 469.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H21BrN2O5S/c1-12-10-14(8-9-16(12)20)22(28(4,25)26)11-18(23)21-17-7-5-6-15(13(17)2)19(24)27-3/h5-10H,11H2,1-4H3,(H,21,23)
InChIKey
QGXSLIKVDDSGFW-UHFFFAOYSA-N
Synonyms

CC1=C(C=CC(=C1)N(CC(=O)NC2=CC=CC(=C2C)C(=O)OC)S(=O)(=O)C)Br
InChI=1SC19H21BrN2O5Sc1121014(8916(12)20)22(28(425)26)1118(23)211775615(13(17)2)19(24)273h510H11H214H3(H2123)
METHYL3((2(4BROMO3METHYLNMETHYLSULFONYLANILINO)ACETYL)AMINO)2METHYLBENZOATE
methyl3((N(4bromo3methylphenyl)N(methylsulfonyl)glycyl)amino)2methylbenzoate
MFCD05835229
ZINC000001061310
ZINC01061310
ZINC1061310

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Available files

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