Vitas-M small molecule compound

3-chloro-N-({4-[(6-methoxypyrimidin-4-yl)sulfamoyl]phenyl}carbamothioyl)-1-benzothiophene-2-carboxamide

Catalog ID
STK555803
SMILES COc1ncnc(c1)NS(=O)(=O)c1ccc(cc1)NC(=S)NC(=O)c1sc2c(c1Cl)cccc2

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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 C21H16ClN5O4S3 MW 534.04 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H16ClN5O4S3/c1-31-17-10-16(23-11-24-17)27-34(29,30)13-8-6-12(7-9-13)25-21(32)26-20(28)19-18(22)14-4-2-3-5-15(14)33-19/h2-11H,1H3,(H,23,24,27)(H2,25,26,28,32)
InChIKey
VORJZSTVGWKIKN-UHFFFAOYSA-N
Synonyms
331004-64-9
331004649
3CHLORANYLN((4((6METHOXYPYRIMIDIN4YL)SULFAMOYL)PHENYL)CARBAMOTHIOYL)1BENZOTHIOPHENE2CARBOXAMIDE
3CHLORON((4((6METHOXY4PYRIMIDINYL)SULFAMOYL)ANILINO)SULFANYLIDENEMETHYL)1BENZOTHIOPHENE2CARBOXAMIDE
3chloroN((4((6methoxypyrimidin4yl)sulfamoyl)phenyl)carbamothioyl)1benzothiophene2carboxamide
3CHLORON((4((6METHOXYPYRIMIDIN4YL)SULFAMOYL)PHENYL)THIOCARBAMOYL)BENZOTHIOPHENE2CARBOXAMIDE
3chloroN((4(N(6methoxypyrimidin4yl)sulfamoyl)phenyl)carbamothioyl)benzo(b)thiophene2carboxamide
4(3(3CHLOROBENZO(B)THIOPHENE2CARBONYL)THIOUREIDO)N(6METHOXYPYRIMIDIN4YL)BENZENESULFONAMIDE
COC1=NC=NC(=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)C3=C(C4=CC=CC=C4S3)Cl
InChI=1SC21H16ClN5O4S3c131171016(23112417)2734(2930)138612(7913)2521(32)2620(28)1918(22)14423515(14)3319h211H1H3(H232427)(H225262832)
MFCD00498902
ZINC000002234179
ZINC2234179

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Available files

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