Vitas-M small molecule compound

3-({[4-(acetylamino)phenyl]sulfonyl}amino)-4-methylbenzoic acid

Catalog ID
STK284452
SMILES CC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1cc(ccc1C)C(=O)O

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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 C16H16N2O5S MW 348.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H16N2O5S/c1-10-3-4-12(16(20)21)9-15(10)18-24(22,23)14-7-5-13(6-8-14)17-11(2)19/h3-9,18H,1-2H3,(H,17,19)(H,20,21)
InChIKey
YCHKXEICJLMLGE-UHFFFAOYSA-N
Synonyms
439935-53-2
3(((4(acetylamino)phenyl)sulfonyl)amino)4methylbenzoicacid
3((4ACETAMIDOPHENYL)SULFONYLAMINO)4METHYLBENZOICACID
439935532
CC1=C(C=C(C=C1)C(=O)O)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C
InChI=1SC16H16N2O5Sc1103412(16(20)21)915(10)1824(2223)147513(6814)1711(2)19h3918H12H3(H1719)(H2021)
MFCD02931947
ZINC000004756980
ZINC4756980

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Available files

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