Vitas-M small molecule compound
N-[2-(azepan-1-ylcarbonyl)phenyl]-3-nitrobenzenesulfonamide
Catalog ID
STK258680
SMILES O=C(c1ccccc1NS(=O)(=O)c1cccc(c1)[N+](=O)[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 C19H21N3O5S MW 403.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H21N3O5S/c23-19(21-12-5-1-2-6-13-21)17-10-3-4-11-18(17)20-28(26,27)16-9-7-8-15(14-16)22(24)25/h3-4,7-11,14,20H,1-2,5-6,12-13H2InChIKey
LEMDBEOJMZILHQ-UHFFFAOYSA-NSynonyms
C1CCCN(CC1)C(=O)C2=CC=CC=C2NS(=O)(=O)C3=CC=CC(=C3)(N+)(=O)(O)
InChI=1SC19H21N3O5Sc2319(211251261321)1710341118(17)2028(2627)1697815(1416)22(24)25h347111420H12561213H2
MFCD08677628
N(2(azepan1ylcarbonyl)phenyl)3nitrobenzenesulfonamide
N(2(azepane1carbonyl)phenyl)3nitrobenzenesulfonamide
O=C(c1ccccc1NS(=O)(=O)c1cccc(c1)(N+)(=O)(O))N1CCCCCC1
ZINC000009356447
ZINC09356447
ZINC9356447
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