Vitas-M small molecule compound

Catalog ID
STK542504
SMILES Cc1cccc(c1)Nc1nc2ccccc2nc1NS(=O)(=O)c1cccc2c1nsn2

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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 C21H16N6O2S2 MW 448.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H16N6O2S2/c1-13-6-4-7-14(12-13)22-20-21(24-16-9-3-2-8-15(16)23-20)27-31(28,29)18-11-5-10-17-19(18)26-30-25-17/h2-12H,1H3,(H,22,23)(H,24,27)
InChIKey
TXGJULQFYRVBRC-UHFFFAOYSA-N
Synonyms
956040-36-1
956040361
CC1=CC(=CC=C1)NC2=NC3=CC=CC=C3N=C2NS(=O)(=O)C4=CC=CC5=NSN=C54
InChI=1SC21H16N6O2S2c11364714(1213)222021(2416932815(16)2320)2731(2829)18115101719(18)26302517h212H1H3(H2223)(H2427)
MFCD03303518
N(3((3METHYLPHENYL)AMINO)QUINOXALIN2YL)213BENZOTHIADIAZOLE4SULFONAMIDE
N(3(3METHYLANILINO)QUINOXALIN2YL)213BENZOTHIADIAZOLE4SULFONAMIDE
N(3(mtolylamino)quinoxalin2yl)benzo(c)(125)thiadiazole4sulfonamide
ZINC000002356062
ZINC02356062
ZINC2356062

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Available files

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