Vitas-M small molecule compound
(4Z)-4-{4-[(2-chloro-6-fluorobenzyl)oxy]-3-methoxybenzylidene}-5-hydroxy-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STL412127
SMILES COc1cc(ccc1OCc1c(F)cccc1Cl)/C=C\1/C(=NN(C1=O)c1ccccc1)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 C24H18ClFN2O4 MW 452.87 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H18ClFN2O4/c1-31-22-13-15(10-11-21(22)32-14-18-19(25)8-5-9-20(18)26)12-17-23(29)27-28(24(17)30)16-6-3-2-4-7-16/h2-13H,14H2,1H3,(H,27,29)/b17-12-InChIKey
YLBAZGOJWGWPCD-ATVHPVEESA-NSynonyms
(4Z)4((4((2chloro6fluorophenyl)methoxy)3methoxyphenyl)methylidene)1phenylpyrazolidine35dione
(4Z)4(4((2chloro6fluorobenzyl)oxy)3methoxybenzylidene)5hydroxy2phenyl24dihydro3Hpyrazol3one
COc1cc(ccc1OCc1c(F)cccc1Cl)C=C1C(=NN(C1=O)c1ccccc1)O
InChI=1SC24H18ClFN2O4c131221315(101121(22)32141819(25)85920(18)26)121723(29)2728(24(17)30)166324716h213H14H21H3(H2729)b1712
MFCD04086006
ZINC000016196276
ZINC16196276
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