Vitas-M small molecule compound
ethyl 6-hydroxy-1-methyl-2-oxo-4-(3-phenoxyphenyl)-6-(trifluoromethyl)hexahydropyrimidine-5-carboxylate
Catalog ID
STL090965
SMILES CCOC(=O)C1C(NC(=O)N(C1(O)C(F)(F)F)C)c1cccc(c1)Oc1ccccc1
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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 C21H21F3N2O5 MW 438.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21F3N2O5/c1-3-30-18(27)16-17(25-19(28)26(2)20(16,29)21(22,23)24)13-8-7-11-15(12-13)31-14-9-5-4-6-10-14/h4-12,16-17,29H,3H2,1-2H3,(H,25,28)InChIKey
ZSZKOKPABFKBKF-UHFFFAOYSA-NSynonyms
459153-62-9459153629
CCOC(=O)C1C(NC(=O)N(C1(C(F)(F)F)O)C)C2=CC(=CC=C2)OC3=CC=CC=C3
ETHYL6HYDROXY1METHYL2OXO4(3PHENOXYPHENYL)6(TRIFLUOROMETHYL)13DIAZINANE5CARBOXYLATE
ETHYL6HYDROXY1METHYL2OXO4(3PHENOXYPHENYL)6(TRIFLUOROMETHYL)HEXAHYDRO5PYRIMIDINECARBOXYLATE
ethyl6hydroxy1methyl2oxo4(3phenoxyphenyl)6(trifluoromethyl)hexahydropyrimidine5carboxylate
InChI=1SC21H21F3N2O5c133018(27)1617(2519(28)26(2)20(1629)21(2223)24)13871115(1213)311495461014h412161729H3H212H3(H2528)
MFCD02730738
ZINC000008433049
ZINC000011859201
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