Vitas-M small molecule compound

STK639597

Catalog ID
STK639597
SMILES COc1ccc(cc1)Nc1nc2ccccc2[nH]/c/1=N\S(=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 C21H16N6O3S2 MW 464.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H16N6O3S2/c1-30-14-11-9-13(10-12-14)22-20-21(24-16-6-3-2-5-15(16)23-20)27-32(28,29)18-8-4-7-17-19(18)26-31-25-17/h2-12H,1H3,(H,22,23)(H,24,27)
InChIKey
UVYCZNGIOPWKTB-UHFFFAOYSA-N
Synonyms
956050-13-8
COC1=CC=C(C=C1)NC2=NC3=CC=CC=C3N=C2NS(=O)(=O)C4=CC=CC5=NSN=C54
COc1ccc(cc1)Nc1nc2ccccc2(nH)c1=NS(=O)(=O)c1cccc2c1nsn2
N(3((4METHOXYPHENYL)AMINO)QUINOXALIN2YL)213BENZOTHIADIAZOLE4SULFONAMIDE
N(3(4METHOXYANILINO)QUINOXALIN2YL)213BENZOTHIADIAZOLE4SULFONAMIDE
Registry IDs
MFCD18162050
ZINC000002326587
ZINC2326587

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Available files

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