Vitas-M small molecule compound
(4E)-2-(4-fluorophenyl)-5-hydroxy-4-{[5-(1-oxo-1,3-dihydro-2-benzofuran-5-yl)furan-2-yl]methylidene}-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STK559015
SMILES Fc1ccc(cc1)N1N=C(/C(=C\c2ccc(o2)c2ccc3c(c2)COC3=O)/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 C22H13FN2O5 MW 404.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H13FN2O5/c23-14-2-4-15(5-3-14)25-21(27)18(20(26)24-25)10-16-6-8-19(30-16)12-1-7-17-13(9-12)11-29-22(17)28/h1-10H,11H2,(H,24,26)/b18-10+InChIKey
KFWRAQFSFXZXJK-VCHYOVAHSA-NSynonyms
(4E)1(4FLUOROPHENYL)4((5(1OXO3H2BENZOFURAN5YL)FURAN2YL)METHYLIDENE)PYRAZOLIDINE35DIONE
(4E)2(4fluorophenyl)5hydroxy4((5(1oxo13dihydro2benzofuran5yl)furan2yl)methylidene)24dihydro3Hpyrazol3one
C1C2=C(C=CC(=C2)C3=CC=C(O3)C=C4C(=O)NN(C4=O)C5=CC=C(C=C5)F)C(=O)O1
Fc1ccc(cc1)N1N=C(C(=Cc2ccc(o2)c2ccc3c(c2)COC3=O)C1=O)O
InChI=1SC22H13FN2O5c23142415(5314)2521(27)18(20(26)2425)10166819(3016)12171713(912)112922(17)28h110H11H2(H2426)b1810+
MFCD03817012
ZINC000002315919
ZINC02315919
ZINC2315919
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