Vitas-M small molecule compound

methyl 4-{5-[(4-fluorophenyl)carbonyl]-2,6-dihydroxy-6-(trifluoromethyl)-3,4,5,6-tetrahydropyrimidin-4-yl}benzoate

Catalog ID
STK642993
SMILES COC(=O)c1ccc(cc1)C1NC(=NC(C1C(=O)c1ccc(cc1)F)(O)C(F)(F)F)O

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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 C20H16F4N2O5 MW 440.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H16F4N2O5/c1-31-17(28)12-4-2-10(3-5-12)15-14(16(27)11-6-8-13(21)9-7-11)19(30,20(22,23)24)26-18(29)25-15/h2-9,14-15,30H,1H3,(H2,25,26,29)
InChIKey
WJJKXBNBEFDEDD-UHFFFAOYSA-N
Synonyms
1005070-84-7
1005070847
methyl4(5((4fluorophenyl)carbonyl)26dihydroxy6(trifluoromethyl)3456tetrahydropyrimidin4yl)benzoate
METHYL4(5(4FLUOROBENZOYL)6HYDROXY2OXO6(TRIFLUOROMETHYL)13DIAZINAN4YL)BENZOATE
METHYL4(5(4FLUOROBENZOYL)6HYDROXY2OXO6(TRIFLUOROMETHYL)HEXAHYDROPYRIMIDIN4YL)BENZOATE
MFCD18163150
ZINC000008915372
ZINC000239432770

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Available files

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