Vitas-M small molecule compound

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

Catalog ID
STK326946
SMILES COc1nc(OC)nc(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 C22H18ClN5O5S3 MW 564.07 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H18ClN5O5S3/c1-32-17-11-16(25-21(26-17)33-2)28-36(30,31)13-9-7-12(8-10-13)24-22(34)27-20(29)19-18(23)14-5-3-4-6-15(14)35-19/h3-11H,1-2H3,(H,25,26,28)(H2,24,27,29,34)
InChIKey
MWLPNRDFKQUNBR-UHFFFAOYSA-N
Synonyms

3CHLORANYLN((4((26DIMETHOXYPYRIMIDIN4YL)SULFAMOYL)PHENYL)CARBAMOTHIOYL)1BENZOTHIOPHENE2CARBOXAMIDE
3CHLORON(((4(((26DIMETHOXY4PYRIMIDINYL)AMINO)SULFONYL)PHENYL)AMINO)CARBONOTHIOYL)1BENZOTHIOPHENE2CARBOXAMIDE
3CHLORON((4((26DIMETHOXY4PYRIMIDINYL)SULFAMOYL)ANILINO)SULFANYLIDENEMETHYL)1BENZOTHIOPHENE2CARBOXAMIDE
3chloroN((4((26dimethoxypyrimidin4yl)sulfamoyl)phenyl)carbamothioyl)1benzothiophene2carboxamide
3CHLORON((4((26DIMETHOXYPYRIMIDIN4YL)SULFAMOYL)PHENYL)THIOCARBAMOYL)BENZOTHIOPHENE2CARBOXAMIDE
3chloroN((4(N(26dimethoxypyrimidin4yl)sulfamoyl)phenyl)carbamothioyl)benzo(b)thiophene2carboxamide
COC1=NC(=NC(=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)C3=C(C4=CC=CC=C4S3)Cl)OC
InChI=1SC22H18ClN5O5S3c132171116(2521(2617)332)2836(3031)139712(81013)2422(34)2720(29)1918(23)14534615(14)3519h311H12H3(H252628)(H224272934)
MFCD00498856
ZINC000001885795
ZINC01885795
ZINC1885795

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Available files

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