Vitas-M small molecule compound
ethyl 4-[(4Z)-4-[3-methoxy-4-(prop-2-en-1-yloxy)benzylidene]-5-oxo-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]benzoate
Catalog ID
STK072670
SMILES C=CCOc1ccc(cc1OC)/C=C/1\C(=O)N(N=C1C(F)(F)F)c1ccc(cc1)C(=O)OCC
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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 C24H21F3N2O5 MW 474.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H21F3N2O5/c1-4-12-34-19-11-6-15(14-20(19)32-3)13-18-21(24(25,26)27)28-29(22(18)30)17-9-7-16(8-10-17)23(31)33-5-2/h4,6-11,13-14H,1,5,12H2,2-3H3/b18-13-InChIKey
UECXZBGXTQTSAI-AQTBWJFISA-NSynonyms
C=CCOc1ccc(cc1OC)C=C1C(=O)N(N=C1C(F)(F)F)c1ccc(cc1)C(=O)OCC
CCOC(=O)C1=CC=C(C=C1)N2C(=O)C(=CC3=CC(=C(C=C3)OCC=C)OC)C(=N2)C(F)(F)F
ETHYL4((4Z)4((3METHOXY4PROP2ENOXYPHENYL)METHYLIDENE)5OXO3(TRIFLUOROMETHYL)PYRAZOL1YL)BENZOATE
ETHYL4((4Z)4(3METHOXY4(PROP2EN1YLOXY)BENZYLIDENE)5OXO3(TRIFLUOROMETHYL)45DIHYDRO1HPYRAZOL1YL)BENZOATE
InChI=1SC24H21F3N2O5c1412341911615(1420(19)323)131821(24(2526)27)2829(22(18)30)179716(81017)23(31)3352h46111314H1512H223H3b1813
MFCD02908127
STK072670
ZINC000027840454
ZINC27840454
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