Vitas-M small molecule compound
ethyl 4-(3-nitrophenyl)-2-oxo-6-{[3-(trifluoromethyl)-1H-pyrazol-1-yl]methyl}-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Catalog ID
STK776061
SMILES CCOC(=O)C1=C(NC(=O)NC1c1cccc(c1)[N+](=O)[O-])Cn1ccc(n1)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 C18H16F3N5O5 MW 439.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H16F3N5O5/c1-2-31-16(27)14-12(9-25-7-6-13(24-25)18(19,20)21)22-17(28)23-15(14)10-4-3-5-11(8-10)26(29)30/h3-8,15H,2,9H2,1H3,(H2,22,23,28)InChIKey
FVFNYRGDRCMRIT-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(NC(=O)NC1c1cccc(c1)(N+)(=O)(O))Cn1ccc(n1)C(F)(F)F
CCOC(=O)C1=C(NC(=O)NC1C2=CC(=CC=C2)(N+)(=O)(O))CN3C=CC(=N3)C(F)(F)F
ethyl4(3nitrophenyl)2oxo6((3(trifluoromethyl)1Hpyrazol1yl)methyl)1234tetrahydropyrimidine5carboxylate
ETHYL4(3NITROPHENYL)2OXO6((3(TRIFLUOROMETHYL)PYRAZOL1YL)METHYL)34DIHYDRO1HPYRIMIDINE5CARBOXYLATE
InChI=1SC18H16F3N5O5c123116(27)1412(9257613(2425)18(1920)21)2217(28)2315(14)1043511(810)26(29)30h3815H29H21H3(H2222328)
MFCD05258454
ZINC000001422921
ZINC000001422922
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