Vitas-M small molecule compound
4-[6-hydroxy-2-oxo-5-(phenylcarbonyl)-6-(trifluoromethyl)hexahydropyrimidin-4-yl]benzoic acid
Catalog ID
STL090919
SMILES O=C1NC(c2ccc(cc2)C(=O)O)C(C(N1)(O)C(F)(F)F)C(=O)c1ccccc1
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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 C19H15F3N2O5 MW 408.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H15F3N2O5/c20-19(21,22)18(29)13(15(25)11-4-2-1-3-5-11)14(23-17(28)24-18)10-6-8-12(9-7-10)16(26)27/h1-9,13-14,29H,(H,26,27)(H2,23,24,28)InChIKey
VNJFEEZJUVVZBF-UHFFFAOYSA-NSynonyms
4((4R5S6R)5BENZOYL6HYDROXY2OXO6(TRIFLUOROMETHYL)HEXAHYDROPYRIMIDIN4YL)BENZOICACID
4((4S5S6S)5BENZOYL6HYDROXY2OXO6(TRIFLUOROMETHYL)HEXAHYDROPYRIMIDIN4YL)BENZOICACID
4(5BENZOYL6HYDROXY2OXO6(TRIFLUOROMETHYL)13DIAZINAN4YL)BENZOICACID
4(6hydroxy2oxo5(phenylcarbonyl)6(trifluoromethyl)hexahydropyrimidin4yl)benzoicacid
C1=CC=C(C=C1)C(=O)C2C(NC(=O)NC2(C(F)(F)F)O)C3=CC=C(C=C3)C(=O)O
InChI=1SC19H15F3N2O5c2019(2122)18(29)13(15(25)114213511)14(2317(28)2418)106812(9710)16(26)27h19131429H(H2627)(H2232428)
MFCD02730830
ZINC000001156746
ZINC000011859245
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