Vitas-M small molecule compound

Catalog ID
STL054090
SMILES COc1cc(OC)c(cc1Nc1nc2ccccc2[nH]/c/1=N\S(=O)(=O)c1cccc2c1nsn2)Cl

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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 C22H17ClN6O4S2 MW 529.00 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H17ClN6O4S2/c1-32-17-11-18(33-2)16(10-12(17)23)26-21-22(25-14-7-4-3-6-13(14)24-21)29-35(30,31)19-9-5-8-15-20(19)28-34-27-15/h3-11H,1-2H3,(H,24,26)(H,25,29)
InChIKey
HDLBOXMWSFOCQW-UHFFFAOYSA-N
Synonyms
1004444-40-9
1004444409
COC1=CC(=C(C=C1NC2=NC3=CC=CC=C3N=C2NS(=O)(=O)C4=CC=CC5=NSN=C54)Cl)OC
COc1cc(OC)c(cc1Nc1nc2ccccc2(nH)c1=NS(=O)(=O)c1cccc2c1nsn2)Cl
InChI=1SC22H17ClN6O4S2c132171118(332)16(1012(17)23)262122(2514743613(14)2421)2935(3031)199581520(19)28342715h311H12H3(H2426)(H2529)
MFCD05728370
N(3((5CHLORO24DIMETHOXYPHENYL)AMINO)QUINOXALIN2YL)213BENZOTHIADIAZOLE4SULFONAMIDE
N(3(5CHLORO24DIMETHOXYANILINO)QUINOXALIN2YL)213BENZOTHIADIAZOLE4SULFONAMIDE
ZINC000002410628
ZINC02410628
ZINC2410628

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Available files

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