Vitas-M small molecule compound

(2Z)-7-[(diethylammonio)methyl]-2-(2,5-dimethoxybenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-olate

Catalog ID
STK856455
SMILES COc1ccc(cc1/C=C/1\Oc2c(C1=O)ccc(c2C[NH+](CC)CC)[O-])OC

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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 C22H25NO5 MW 383.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H25NO5/c1-5-23(6-2)13-17-18(24)9-8-16-21(25)20(28-22(16)17)12-14-11-15(26-3)7-10-19(14)27-4/h7-12,24H,5-6,13H2,1-4H3/b20-12-
InChIKey
NLHBBHSAEKFURX-NDENLUEZSA-N
Synonyms
869077-23-6
(2Z)7((diethylammonio)methyl)2(25dimethoxybenzylidene)3oxo23dihydro1benzofuran6olate
(2Z)7((diethylazaniumyl)methyl)2((25dimethoxyphenyl)methylidene)3oxo1benzofuran6olate
869077236
CC(NH+)(CC)CC1=C(C=CC2=C1OC(=CC3=C(C=CC(=C3)OC)OC)C2=O)(O)
COc1ccc(cc1C=C1Oc2c(C1=O)ccc(c2C(NH+)(CC)CC)(O))OC
InChI=1SC22H25NO5c1523(62)131718(24)981621(25)20(2822(16)17)12141115(263)71019(14)274h71224H5613H214H3b2012
MFCD06405733
ZINC000020624578

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Available files

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