Vitas-M small molecule compound

Catalog ID
STL054154
SMILES Cc1ccc(cc1)CNc1nc2ccccc2[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 C22H18N6O2S2 MW 462.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H18N6O2S2/c1-14-9-11-15(12-10-14)13-23-21-22(25-17-6-3-2-5-16(17)24-21)28-32(29,30)19-8-4-7-18-20(19)27-31-26-18/h2-12H,13H2,1H3,(H,23,24)(H,25,28)
InChIKey
AVBVYTCFUYRPPR-UHFFFAOYSA-N
Synonyms
1002513-41-8
1002513418
CC1=CC=C(C=C1)CNC2=NC3=CC=CC=C3N=C2NS(=O)(=O)C4=CC=CC5=NSN=C54
Cc1ccc(cc1)CNc1nc2ccccc2(nH)c1=NS(=O)(=O)c1cccc2c1nsn2
InChI=1SC22H18N6O2S2c11491115(121014)13232122(2517632516(17)2421)2832(2930)198471820(19)27312618h212H13H21H3(H2324)(H2528)
MFCD05725658
N(3((4METHYLBENZYL)AMINO)QUINOXALIN2YL)213BENZOTHIADIAZOLE4SULFONAMIDE
N(3((4METHYLPHENYL)METHYLAMINO)QUINOXALIN2YL)213BENZOTHIADIAZOLE4SULFONAMIDE
ZINC000002431671
ZINC02431671
ZINC2431671

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Available files

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