Vitas-M small molecule compound
3-(azepan-1-ylcarbonyl)-4-methoxy-N-(2-methyl-5-nitrophenyl)benzenesulfonamide
Catalog ID
STK257357
SMILES COc1ccc(cc1C(=O)N1CCCCCC1)S(=O)(=O)Nc1cc(ccc1C)[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 C21H25N3O6S MW 447.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H25N3O6S/c1-15-7-8-16(24(26)27)13-19(15)22-31(28,29)17-9-10-20(30-2)18(14-17)21(25)23-11-5-3-4-6-12-23/h7-10,13-14,22H,3-6,11-12H2,1-2H3InChIKey
OTJRQXVIQQUGNB-UHFFFAOYSA-NSynonyms
3(azepan1ylcarbonyl)4methoxyN(2methyl5nitrophenyl)benzenesulfonamide
3(azepane1carbonyl)4methoxyN(2methyl5nitrophenyl)benzenesulfonamide
CC1=C(C=C(C=C1)(N+)(=O)(O))NS(=O)(=O)C2=CC(=C(C=C2)OC)C(=O)N3CCCCCC3
COc1ccc(cc1C(=O)N1CCCCCC1)S(=O)(=O)Nc1cc(ccc1C)(N+)(=O)(O)
InChI=1SC21H25N3O6Sc1157816(24(26)27)1319(15)2231(2829)1791020(302)18(1417)21(25)231153461223h710131422H361112H212H3
MFCD08684353
ZINC000009356170
ZINC09356170
ZINC9356170
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