Vitas-M small molecule compound

ethyl N-[(3-chlorophenyl)carbonyl]-2-({4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl}amino)-3,3,3-trifluoroalaninate

Catalog ID
STK377709
SMILES CCOC(=O)C(C(F)(F)F)(NC(=O)c1cccc(c1)Cl)Nc1ccc(cc1)S(=O)(=O)Nc1nc(C)cc(n1)C

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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 C24H23ClF3N5O5S MW 585.99 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H23ClF3N5O5S/c1-4-38-21(35)23(24(26,27)28,32-20(34)16-6-5-7-17(25)13-16)31-18-8-10-19(11-9-18)39(36,37)33-22-29-14(2)12-15(3)30-22/h5-13,31H,4H2,1-3H3,(H,32,34)(H,29,30,33)
InChIKey
OSWQQXZXYWDKEV-UHFFFAOYSA-N
Synonyms

4(1(3CHLOROBENZAMIDO)1ETHOXYCARBONYL222TRIFLUOROETHYLAMINO)N(46DIMETHYL2PYRIMIDINYL)BENZENESULFONAMIDE
CCOC(=O)C(C(F)(F)F)(NC1=CC=C(C=C1)S(=O)(=O)NC2=NC(=CC(=N2)C)C)NC(=O)C3=CC(=CC=C3)Cl
ETHYL2((3CHLOROBENZOYL)AMINO)2(4(((46DIMETHYL2PYRIMIDINYL)AMINO)SULFONYL)ANILINO)333TRIFLUOROPROPANOATE
ETHYL2((3CHLOROBENZOYL)AMINO)2(4((46DIMETHYLPYRIMIDIN2YL)SULFAMOYL)ANILINO)333TRIFLUOROPROPANOATE
ethylN((3chlorophenyl)carbonyl)2((4((46dimethylpyrimidin2yl)sulfamoyl)phenyl)amino)333trifluoroalaninate
InChI=1SC24H23ClF3N5O5Sc143821(35)23(24(2627)283220(34)1665717(25)1316)311881019(11918)39(3637)33222914(2)1215(3)3022h51331H4H213H3(H3234)(H293033)
MFCD00788834
ZINC000003103219
ZINC000003991790

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Available files

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