Vitas-M small molecule compound

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

Catalog ID
STK856106
SMILES COc1ccc(cc1/C=C/1\Oc2c(C1=O)ccc(c2C[NH+](C)C)[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 C20H21NO5 MW 355.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H21NO5/c1-21(2)11-15-16(22)7-6-14-19(23)18(26-20(14)15)10-12-9-13(24-3)5-8-17(12)25-4/h5-10,22H,11H2,1-4H3/b18-10-
InChIKey
CZKWVRJXFAIBLF-ZDLGFXPLSA-N
Synonyms
869077-06-5
(2Z)2((25dimethoxyphenyl)methylidene)7((dimethylamino)methyl)6hydroxy1benzofuran3one
(2Z)2(25dimethoxybenzylidene)7((dimethylammonio)methyl)3oxo23dihydro1benzofuran6olate
869077065
CN(C)CC1=C(C=CC2=C1OC(=CC3=C(C=CC(=C3)OC)OC)C2=O)O
COc1ccc(cc1C=C1Oc2c(C1=O)ccc(c2C(NH+)(C)C)(O))OC
InChI=1SC20H21NO5c121(2)111516(22)761419(23)18(2620(14)15)1012913(243)5817(12)254h51022H11H214H3b1810
MFCD06405716
ZINC000013653789

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Available files

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