Vitas-M small molecule compound

3-(azepan-1-ylcarbonyl)-4-methoxy-N-(2-methylbenzyl)benzenesulfonamide

Catalog ID
STK257345
SMILES COc1ccc(cc1C(=O)N1CCCCCC1)S(=O)(=O)NCc1ccccc1C

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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 C22H28N2O4S MW 416.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H28N2O4S/c1-17-9-5-6-10-18(17)16-23-29(26,27)19-11-12-21(28-2)20(15-19)22(25)24-13-7-3-4-8-14-24/h5-6,9-12,15,23H,3-4,7-8,13-14,16H2,1-2H3
InChIKey
GOOATQARAQIFSF-UHFFFAOYSA-N
Synonyms

3(azepan1ylcarbonyl)4methoxyN(2methylbenzyl)benzenesulfonamide
3(azepane1carbonyl)4methoxyN((2methylphenyl)methyl)benzenesulfonamide
CC1=CC=CC=C1CNS(=O)(=O)C2=CC(=C(C=C2)OC)C(=O)N3CCCCCC3
InChI=1SC22H28N2O4Sc1179561018(17)162329(2627)19111221(282)20(1519)22(25)241373481424h569121523H3478131416H212H3
MFCD08684337
ZINC000008405138
ZINC08405138
ZINC8405138

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Available files

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