Vitas-M small molecule compound

2-(acetylamino)phenyl 5-bromo-2-methylbenzenesulfonate

Catalog ID
STK353937
SMILES CC(=O)Nc1ccccc1OS(=O)(=O)c1cc(Br)ccc1C

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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 C15H14BrNO4S MW 384.25 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H14BrNO4S/c1-10-7-8-12(16)9-15(10)22(19,20)21-14-6-4-3-5-13(14)17-11(2)18/h3-9H,1-2H3,(H,17,18)
InChIKey
QUUFQYVJDQNAHE-UHFFFAOYSA-N
Synonyms
313402-84-5
(2ACETAMIDOPHENYL)5BROMO2METHYLBENZENESULFONATE
2(acetylamino)phenyl5bromo2methylbenzenesulfonate
2ACETAMIDOPHENYL5BROMO2METHYLBENZENESULFONATE
313402845
CC1=C(C=C(C=C1)Br)S(=O)(=O)OC2=CC=CC=C2NC(=O)C
InChI=1SC15H14BrNO4Sc1107812(16)915(10)22(1920)2114643513(14)1711(2)18h39H12H3(H1718)
MFCD01173021
ZINC000004076637
ZINC04076637
ZINC4076637

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Available files

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