Vitas-M small molecule compound
N-[2-(azepan-1-yl)-2-oxoethyl]-N-(4-methoxyphenyl)-4-methyl-3-nitrobenzenesulfonamide
Catalog ID
STK043327
SMILES COc1ccc(cc1)N(S(=O)(=O)c1ccc(c(c1)[N+](=O)[O-])C)CC(=O)N1CCCCCC1
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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 C22H27N3O6S MW 461.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H27N3O6S/c1-17-7-12-20(15-21(17)25(27)28)32(29,30)24(18-8-10-19(31-2)11-9-18)16-22(26)23-13-5-3-4-6-14-23/h7-12,15H,3-6,13-14,16H2,1-2H3InChIKey
VYIXZTWODQKDJM-UHFFFAOYSA-NSynonyms
CC1=C(C=C(C=C1)S(=O)(=O)N(CC(=O)N2CCCCCC2)C3=CC=C(C=C3)OC)(N+)(=O)(O)
COc1ccc(cc1)N(S(=O)(=O)c1ccc(c(c1)(N+)(=O)(O))C)CC(=O)N1CCCCCC1
InChI=1SC22H27N3O6Sc11771220(1521(17)25(27)28)32(2930)24(1881019(312)11918)1622(26)231353461423h71215H36131416H212H3
MFCD02578371
N(2(AZEPAN1YL)2OXOETHYL)N(4METHOXYPHENYL)4METHYL3NITROBENZENESULFONAMIDE
STK043327
ZINC000009425614
ZINC09425614
ZINC9425614
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