Vitas-M small molecule compound
(2Z)-2-(3,4-dimethoxybenzylidene)-3-oxo-7-(piperidinium-1-ylmethyl)-2,3-dihydro-1-benzofuran-6-olate
Catalog ID
STL518475
SMILES COc1cc(ccc1OC)/C=C/1\Oc2c(C1=O)ccc(c2C[NH+]1CCCCC1)[O-]
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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 C23H25NO5 MW 395.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H25NO5/c1-27-19-9-6-15(12-20(19)28-2)13-21-22(26)16-7-8-18(25)17(23(16)29-21)14-24-10-4-3-5-11-24/h6-9,12-13,25H,3-5,10-11,14H2,1-2H3/b21-13-InChIKey
XOSALYYWAMYXNF-BKUYFWCQSA-NSynonyms
869077-34-9(2~(Z))2((34dimethoxyphenyl)methylidene)3oxo7(piperidin1ium1ylmethyl)1benzofuran6olate
(2Z)2(34dimethoxybenzylidene)3oxo7(piperidinium1ylmethyl)23dihydro1benzofuran6olate
16426631
869077349
MFCD06405744
ZINC000020759878
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