Vitas-M small molecule compound
(4Z)-2-(4-chlorophenyl)-4-[3-ethoxy-4-(prop-2-yn-1-yloxy)benzylidene]-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STL378545
SMILES CCOc1cc(ccc1OCC#C)/C=C/1\C(=O)N(N=C1C(F)(F)F)c1ccc(cc1)Cl
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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 C22H16ClF3N2O3 MW 448.83 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H16ClF3N2O3/c1-3-11-31-18-10-5-14(13-19(18)30-4-2)12-17-20(22(24,25)26)27-28(21(17)29)16-8-6-15(23)7-9-16/h1,5-10,12-13H,4,11H2,2H3/b17-12-InChIKey
HJULPJCFRCYCER-ATVHPVEESA-NSynonyms
(4Z)2(4CHLOROPHENYL)4((3ETHOXY4PROP2YNOXYPHENYL)METHYLIDENE)5(TRIFLUOROMETHYL)PYRAZOL3ONE
(4Z)2(4chlorophenyl)4(3ethoxy4(prop2yn1yloxy)benzylidene)5(trifluoromethyl)24dihydro3Hpyrazol3one
CCOC1=C(C=CC(=C1)C=C2C(=NN(C2=O)C3=CC=C(C=C3)Cl)C(F)(F)F)OCC#C
CCOc1cc(ccc1OCC#C)C=C1C(=O)N(N=C1C(F)(F)F)c1ccc(cc1)Cl
InChI=1SC22H16ClF3N2O3c1311311810514(1319(18)3042)121720(22(2425)26)2728(21(17)29)168615(23)7916h15101213H411H22H3b1712
MFCD03217350
ZINC000016183999
ZINC16183999
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