Vitas-M small molecule compound
(4E)-4-(4-tert-butylbenzylidene)-2-(3-fluorophenyl)-5-hydroxy-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STL507566
SMILES Fc1cccc(c1)N1N=C(/C(=C\c2ccc(cc2)C(C)(C)C)/C1=O)O
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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 C20H19FN2O2 MW 338.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H19FN2O2/c1-20(2,3)14-9-7-13(8-10-14)11-17-18(24)22-23(19(17)25)16-6-4-5-15(21)12-16/h4-12H,1-3H3,(H,22,24)/b17-11+InChIKey
WNSQGWABWNKLCB-GZTJUZNOSA-NSynonyms
(4~(E))4((4~(tert)butylphenyl)methylidene)1(3fluorophenyl)pyrazolidine35dione
(4E)4(4tertbutylbenzylidene)2(3fluorophenyl)5hydroxy24dihydro3Hpyrazol3one
1778629
InChI=1SC20H19FN2O2c120(23)149713(81014)111718(24)2223(19(17)25)1664515(21)1216h412H13H3(H2224)b1711+
MFCD31615283
ZINC000002123912
ZINC2123912
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