Vitas-M small molecule compound
(2Z)-7-[(dimethylammonio)methyl]-2-(2-fluorobenzylidene)-4-methyl-3-oxo-2,3-dihydro-1-benzofuran-6-olate
Catalog ID
STK855455
SMILES C[NH+](Cc1c([O-])cc(c2c1O/C(=C\c1ccccc1F)/C2=O)C)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 C19H18FNO3 MW 327.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H18FNO3/c1-11-8-15(22)13(10-21(2)3)19-17(11)18(23)16(24-19)9-12-6-4-5-7-14(12)20/h4-9,22H,10H2,1-3H3/b16-9-InChIKey
KLYAORNCAOLEDM-SXGWCWSVSA-NSynonyms
903868-16-6(2Z)7((dimethylammonio)methyl)2(2fluorobenzylidene)4methyl3oxo23dihydro1benzofuran6olate
(2Z)7((dimethylazaniumyl)methyl)2((2fluorophenyl)methylidene)4methyl3oxo1benzofuran6olate
903868166
C(NH+)(Cc1c((O))cc(c2c1OC(=Cc1ccccc1F)C2=O)C)C
CC1=CC(=C(C2=C1C(=O)C(=CC3=CC=CC=C3F)O2)C(NH+)(C)C)(O)
InChI=1SC19H18FNO3c111815(22)13(1021(2)3)1917(11)18(23)16(2419)912645714(12)20h4922H10H213H3b169
MFCD08285798
ZINC000020573245
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