Vitas-M small molecule compound
(2Z)-7-[(dimethylammonio)methyl]-2-(2-fluorobenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-olate
Catalog ID
STK856357
SMILES C[NH+](Cc1c([O-])ccc2c1O/C(=C\c1ccccc1F)/C2=O)C
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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 C18H16FNO3 MW 313.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H16FNO3/c1-20(2)10-13-15(21)8-7-12-17(22)16(23-18(12)13)9-11-5-3-4-6-14(11)19/h3-9,21H,10H2,1-2H3/b16-9-InChIKey
MZHZRYHDVWMOQT-SXGWCWSVSA-NSynonyms
869077-01-0(2Z)7((dimethylammonio)methyl)2(2fluorobenzylidene)3oxo23dihydro1benzofuran6olate
(2Z)7((dimethylazaniumyl)methyl)2((2fluorophenyl)methylidene)3oxo1benzofuran6olate
869077010
C(NH+)(C)CC1=C(C=CC2=C1OC(=CC3=CC=CC=C3F)C2=O)(O)
C(NH+)(Cc1c((O))ccc2c1OC(=Cc1ccccc1F)C2=O)C
InChI=1SC18H16FNO3c120(2)101315(21)871217(22)16(2318(12)13)911534614(11)19h3921H10H212H3b169
MFCD06405711
ZINC000020624773
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