Vitas-M small molecule compound
(2Z)-7-[(diethylammonio)methyl]-2-(2-fluorobenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-olate
Catalog ID
STK856766
SMILES CC[NH+](Cc1c([O-])ccc2c1O/C(=C\c1ccccc1F)/C2=O)CC
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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 C20H20FNO3 MW 341.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H20FNO3/c1-3-22(4-2)12-15-17(23)10-9-14-19(24)18(25-20(14)15)11-13-7-5-6-8-16(13)21/h5-11,23H,3-4,12H2,1-2H3/b18-11-InChIKey
LBBLWOJWYQUSIW-WQRHYEAKSA-NSynonyms
869077-18-9(2Z)7((diethylammonio)methyl)2(2fluorobenzylidene)3oxo23dihydro1benzofuran6olate
869077189
CC(NH+)(Cc1c((O))ccc2c1OC(=Cc1ccccc1F)C2=O)CC
CCN(CC)CC1=C(C=CC2=C1OC(=CC3=CC=CC=C3F)C2=O)O
InChI=1SC20H20FNO3c1322(42)121517(23)1091419(24)18(2520(14)15)1113756816(13)21h51123H3412H212H3b1811
MFCD06405728
ZINC000020624492
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