Vitas-M small molecule compound

3-(azepan-1-ylcarbonyl)-N-(4-chlorobenzyl)-4-methoxybenzenesulfonamide

Catalog ID
STK257344
SMILES COc1ccc(cc1C(=O)N1CCCCCC1)S(=O)(=O)NCc1ccc(cc1)Cl

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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 C21H25ClN2O4S MW 436.96 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H25ClN2O4S/c1-28-20-11-10-18(14-19(20)21(25)24-12-4-2-3-5-13-24)29(26,27)23-15-16-6-8-17(22)9-7-16/h6-11,14,23H,2-5,12-13,15H2,1H3
InChIKey
UIXXHJNQCIHKCB-UHFFFAOYSA-N
Synonyms

3(azepan1ylcarbonyl)N(4chlorobenzyl)4methoxybenzenesulfonamide
3(azepane1carbonyl)N((4chlorophenyl)methyl)4methoxybenzenesulfonamide
COC1=C(C=C(C=C1)S(=O)(=O)NCC2=CC=C(C=C2)Cl)C(=O)N3CCCCCC3
InChI=1SC21H25ClN2O4Sc12820111018(1419(20)21(25)241242351324)29(2627)2315166817(22)9716h6111423H25121315H21H3
MFCD08684336
ZINC000009356160
ZINC09356160
ZINC9356160

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Available files

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