Vitas-M small molecule compound

3-(azepan-1-ylcarbonyl)-N-(2,5-dichlorophenyl)-4-methoxybenzenesulfonamide

Catalog ID
STK257342
SMILES COc1ccc(cc1C(=O)N1CCCCCC1)S(=O)(=O)Nc1cc(Cl)ccc1Cl

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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 C20H22Cl2N2O4S MW 457.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H22Cl2N2O4S/c1-28-19-9-7-15(13-16(19)20(25)24-10-4-2-3-5-11-24)29(26,27)23-18-12-14(21)6-8-17(18)22/h6-9,12-13,23H,2-5,10-11H2,1H3
InChIKey
OUXIPHDFXRZZIP-UHFFFAOYSA-N
Synonyms

3(azepan1ylcarbonyl)N(25dichlorophenyl)4methoxybenzenesulfonamide
3(azepane1carbonyl)N(25dichlorophenyl)4methoxybenzenesulfonamide
COC1=C(C=C(C=C1)S(=O)(=O)NC2=C(C=CC(=C2)Cl)Cl)C(=O)N3CCCCCC3
InChI=1SC20H22Cl2N2O4Sc128199715(1316(19)20(25)241042351124)29(2627)23181214(21)6817(18)22h69121323H251011H21H3
MFCD08684334
ZINC000009356158
ZINC09356158
ZINC9356158

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Available files

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