Vitas-M small molecule compound

methyl 3-{[(2-methylbenzyl)sulfonyl]amino}benzoate

Catalog ID
STL223070
SMILES COC(=O)c1cccc(c1)NS(=O)(=O)Cc1ccccc1C

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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 C16H17NO4S MW 319.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H17NO4S/c1-12-6-3-4-7-14(12)11-22(19,20)17-15-9-5-8-13(10-15)16(18)21-2/h3-10,17H,11H2,1-2H3
InChIKey
HCXRGTHLCMVCOQ-UHFFFAOYSA-N
Synonyms

CC1=CC=CC=C1CS(=O)(=O)NC2=CC=CC(=C2)C(=O)OC
InChI=1SC16H17NO4Sc112634714(12)1122(1920)171595813(1015)16(18)212h31017H11H212H3
methyl3(((2methylbenzyl)sulfonyl)amino)benzoate
methyl3((2methylphenyl)methylsulfonylamino)benzoate
MFCD09226937
ZINC000010112240
ZINC10112240

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Available files

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