Vitas-M small molecule compound

N-{4-[(3,4-dimethylphenyl)sulfamoyl]phenyl}-3-nitrobenzenesulfonamide

Catalog ID
STL118899
SMILES Cc1cc(ccc1C)NS(=O)(=O)c1ccc(cc1)NS(=O)(=O)c1cccc(c1)[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 C20H19N3O6S2 MW 461.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H19N3O6S2/c1-14-6-7-17(12-15(14)2)22-30(26,27)19-10-8-16(9-11-19)21-31(28,29)20-5-3-4-18(13-20)23(24)25/h3-13,21-22H,1-2H3
InChIKey
APKTZBRTOMJCSE-UHFFFAOYSA-N
Synonyms

CC1=C(C=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC=CC(=C3)(N+)(=O)(O))C
Cc1cc(ccc1C)NS(=O)(=O)c1ccc(cc1)NS(=O)(=O)c1cccc(c1)(N+)(=O)(O)
InChI=1SC20H19N3O6S2c1146717(1215(14)2)2230(2627)1910816(91119)2131(2829)2053418(1320)23(24)25h3132122H12H3
MFCD05812491
N(4((34dimethylphenyl)sulfamoyl)phenyl)3nitrobenzenesulfonamide
ZINC000016312549
ZINC16312549

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Available files

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