Vitas-M small molecule compound
3-(azepan-1-ylcarbonyl)-N-(2-chloro-5-nitrophenyl)-4-methoxybenzenesulfonamide
Catalog ID
STK257365
SMILES COc1ccc(cc1C(=O)N1CCCCCC1)S(=O)(=O)Nc1cc(ccc1Cl)[N+](=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 C20H22ClN3O6S MW 467.93 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H22ClN3O6S/c1-30-19-9-7-15(13-16(19)20(25)23-10-4-2-3-5-11-23)31(28,29)22-18-12-14(24(26)27)6-8-17(18)21/h6-9,12-13,22H,2-5,10-11H2,1H3InChIKey
AGZDKBZNQYPLEX-UHFFFAOYSA-NSynonyms
3(azepan1ylcarbonyl)N(2chloro5nitrophenyl)4methoxybenzenesulfonamide
3(azepane1carbonyl)N(2chloro5nitrophenyl)4methoxybenzenesulfonamide
COC1=C(C=C(C=C1)S(=O)(=O)NC2=C(C=CC(=C2)(N+)(=O)(O))Cl)C(=O)N3CCCCCC3
COc1ccc(cc1C(=O)N1CCCCCC1)S(=O)(=O)Nc1cc(ccc1Cl)(N+)(=O)(O)
InChI=1SC20H22ClN3O6Sc130199715(1316(19)20(25)231042351123)31(2829)22181214(24(26)27)6817(18)21h69121322H251011H21H3
MFCD08684364
ZINC000009356178
ZINC9356178
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