Vitas-M small molecule compound
ethyl 3-{5-[(Z)-{3-methyl-5-oxo-1-[3-(trifluoromethyl)phenyl]-1,5-dihydro-4H-pyrazol-4-ylidene}methyl]furan-2-yl}benzoate
Catalog ID
STL431792
SMILES CCOC(=O)c1cccc(c1)c1ccc(o1)/C=C\1/C(=NN(C1=O)c1cccc(c1)C(F)(F)F)C
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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 C25H19F3N2O4 MW 468.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H19F3N2O4/c1-3-33-24(32)17-7-4-6-16(12-17)22-11-10-20(34-22)14-21-15(2)29-30(23(21)31)19-9-5-8-18(13-19)25(26,27)28/h4-14H,3H2,1-2H3/b21-14-InChIKey
TUSQQBDBVBUMGL-STZFKDTASA-NSynonyms
CCOC(=O)C1=CC=CC(=C1)C2=CC=C(O2)C=C3C(=NN(C3=O)C4=CC=CC(=C4)C(F)(F)F)C
CCOC(=O)c1cccc(c1)c1ccc(o1)C=C1C(=NN(C1=O)c1cccc(c1)C(F)(F)F)C
ethyl3(5((Z)(3methyl5oxo1(3(trifluoromethyl)phenyl)15dihydro4Hpyrazol4ylidene)methyl)furan2yl)benzoate
ethyl3(5((Z)(3methyl5oxo1(3(trifluoromethyl)phenyl)pyrazol4ylidene)methyl)furan2yl)benzoate
InChI=1SC25H19F3N2O4c133324(32)1774616(1217)22111020(3422)142115(2)2930(23(21)31)1995818(1319)25(2627)28h414H3H212H3b2114
MFCD02086457
ZINC000027527778
ZINC27527778
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