Vitas-M small molecule compound
4-{[(3-chlorophenyl)carbamoyl]amino}-N-[1,3-dimethyl-2,4,6-trioxo-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl]benzenesulfonamide
Catalog ID
STK691193
SMILES O=C(Nc1cccc(c1)Cl)Nc1ccc(cc1)S(=O)(=O)NC1(C(=O)Nc2c1c(=O)n(c(=O)n2C)C)C(F)(F)F
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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 C22H18ClF3N6O6S MW 586.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H18ClF3N6O6S/c1-31-16-15(17(33)32(2)20(31)36)21(18(34)29-16,22(24,25)26)30-39(37,38)14-8-6-12(7-9-14)27-19(35)28-13-5-3-4-11(23)10-13/h3-10,30H,1-2H3,(H,29,34)(H2,27,28,35)InChIKey
GDZKLITWKJHMOC-UHFFFAOYSA-NSynonyms
1(3chlorophenyl)3(4((13dimethyl246trioxo5(trifluoromethyl)7Hpyrrolo(23d)pyrimidin5yl)sulfamoyl)phenyl)urea
4(((3chlorophenyl)carbamoyl)amino)N(13dimethyl246trioxo5(trifluoromethyl)234567hexahydro1Hpyrrolo(23d)pyrimidin5yl)benzenesulfonamide
CN1C2=C(C(=O)N(C1=O)C)C(C(=O)N2)(C(F)(F)F)NS(=O)(=O)C3=CC=C(C=C3)NC(=O)NC4=CC(=CC=C4)Cl
InChI=1SC22H18ClF3N6O6Sc1311615(17(33)32(2)20(31)36)21(18(34)291622(2425)26)3039(3738)148612(7914)2719(35)281353411(23)1013h31030H12H3(H2934)(H2272835)
MFCD06177037
ZINC000098043520
ZINC000098043521
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