Vitas-M small molecule compound
ethyl 6-{[(4-methylphenyl)sulfanyl]methyl}-2-oxo-4-[2-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Catalog ID
STK778435
SMILES CCOC(=O)C1=C(CSc2ccc(cc2)C)NC(=O)NC1c1ccccc1C(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 C22H21F3N2O3S MW 450.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21F3N2O3S/c1-3-30-20(28)18-17(12-31-14-10-8-13(2)9-11-14)26-21(29)27-19(18)15-6-4-5-7-16(15)22(23,24)25/h4-11,19H,3,12H2,1-2H3,(H2,26,27,29)InChIKey
LJMYCFABCAJYIO-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(NC(=O)NC1C2=CC=CC=C2C(F)(F)F)CSC3=CC=C(C=C3)C
ethyl6(((4methylphenyl)sulfanyl)methyl)2oxo4(2(trifluoromethyl)phenyl)1234tetrahydropyrimidine5carboxylate
ETHYL6((4METHYLPHENYL)SULFANYLMETHYL)2OXO4(2(TRIFLUOROMETHYL)PHENYL)34DIHYDRO1HPYRIMIDINE5CARBOXYLATE
InChI=1SC22H21F3N2O3Sc133020(28)1817(12311410813(2)91114)2621(29)2719(18)15645716(15)22(2324)25h41119H312H212H3(H2262729)
MFCD05856618
ZINC000001427422
ZINC000001427423
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