Vitas-M small molecule compound
ethyl 4-(4-chlorophenyl)-2-thioxo-6-(trifluoromethyl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Catalog ID
STL091109
SMILES CCOC(=O)C1=C(NC(=S)NC1c1ccc(cc1)Cl)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 C14H12ClF3N2O2S MW 364.78 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H12ClF3N2O2S/c1-2-22-12(21)9-10(7-3-5-8(15)6-4-7)19-13(23)20-11(9)14(16,17)18/h3-6,10H,2H2,1H3,(H2,19,20,23)InChIKey
WPKQBHJISDBOTC-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(NC(=S)NC1C2=CC=C(C=C2)Cl)C(F)(F)F
ETHYL4(4CHLOROPHENYL)2SULFANYLIDENE6(TRIFLUOROMETHYL)34DIHYDRO1HPYRIMIDINE5CARBOXYLATE
ethyl4(4chlorophenyl)2thioxo6(trifluoromethyl)1234tetrahydropyrimidine5carboxylate
InChI=1SC14H12ClF3N2O2Sc122212(21)910(7358(15)647)1913(23)2011(9)14(1617)18h3610H2H21H3(H2192023)
MFCD06326995
ZINC000003201913
ZINC000003201914
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