Vitas-M small molecule compound

dimethyl 5-{[(benzylsulfonyl)acetyl]amino}benzene-1,3-dicarboxylate

Catalog ID
STK158987
SMILES COC(=O)c1cc(NC(=O)CS(=O)(=O)Cc2ccccc2)cc(c1)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 C19H19NO7S MW 405.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H19NO7S/c1-26-18(22)14-8-15(19(23)27-2)10-16(9-14)20-17(21)12-28(24,25)11-13-6-4-3-5-7-13/h3-10H,11-12H2,1-2H3,(H,20,21)
InChIKey
QINOBFCJIYDCNU-UHFFFAOYSA-N
Synonyms
702649-22-7
702649227
COC(=O)C1=CC(=CC(=C1)NC(=O)CS(=O)(=O)CC2=CC=CC=C2)C(=O)OC
DIMETHYL5(((BENZYLSULFONYL)ACETYL)AMINO)BENZENE13DICARBOXYLATE
DIMETHYL5((2BENZYLSULFONYLACETYL)AMINO)BENZENE13DICARBOXYLATE
InChI=1SC19H19NO7Sc12618(22)14815(19(23)272)1016(914)2017(21)1228(2425)11136435713h310H1112H212H3(H2021)
METHYL3(METHOXYCARBONYL)5(2(BENZYLSULFONYL)ACETYLAMINO)BENZOATE
MFCD05660314
ZINC000002848200
ZINC02848200
ZINC2848200

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Available files

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