Vitas-M small molecule compound

ethyl 2-[({2-[(2,1,3-benzothiadiazol-4-ylsulfonyl)amino]phenyl}carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Catalog ID
STK759015
SMILES CCOC(=O)c1c(NC(=O)c2ccccc2NS(=O)(=O)c2cccc3c2nsn3)sc2c1CCCC2

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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 C24H22N4O5S3 MW 542.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H22N4O5S3/c1-2-33-24(30)20-15-9-4-6-12-18(15)34-23(20)25-22(29)14-8-3-5-10-16(14)28-36(31,32)19-13-7-11-17-21(19)27-35-26-17/h3,5,7-8,10-11,13,28H,2,4,6,9,12H2,1H3,(H,25,29)
InChIKey
FFXFXPNGWOVRAL-UHFFFAOYSA-N
Synonyms
329196-04-5
329196045
CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=CC=CC=C3NS(=O)(=O)C4=CC=CC5=NSN=C54
ethyl2(((2((213benzothiadiazol4ylsulfonyl)amino)phenyl)carbonyl)amino)4567tetrahydro1benzothiophene3carboxylate
ethyl2((2(213benzothiadiazol4ylsulfonylamino)benzoyl)amino)4567tetrahydro1benzothiophene3carboxylate
ethyl2(2(benzo(c)(125)thiadiazole4sulfonamido)benzamido)4567tetrahydrobenzo(b)thiophene3carboxylate
InChI=1SC24H22N4O5S3c123324(30)20159461218(15)3423(20)2522(29)148351016(14)2836(3132)19137111721(19)27352617h357810111328H246912H21H3(H2529)
MFCD01325997
ZINC000002060763
ZINC02060763
ZINC2060763

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Available files

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