Vitas-M small molecule compound

(2Z)-2-(1,3-benzodioxol-5-ylmethylidene)-7-[(2-methylpiperidinium-1-yl)methyl]-3-oxo-2,3-dihydro-1-benzofuran-6-olate

Catalog ID
STL530514
SMILES O=C1/C(=C/c2ccc3c(c2)OCO3)/Oc2c1ccc(c2C[NH+]1CCCCC1C)[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 C23H23NO5 MW 393.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H23NO5/c1-14-4-2-3-9-24(14)12-17-18(25)7-6-16-22(26)21(29-23(16)17)11-15-5-8-19-20(10-15)28-13-27-19/h5-8,10-11,14,25H,2-4,9,12-13H2,1H3/b21-11-
InChIKey
DXYFJLIDWRVMQF-NHDPSOOVSA-N
Synonyms
859665-05-7
(2~(Z))2(13benzodioxol5ylmethylidene)7((2methylpiperidin1ium1yl)methyl)3oxo1benzofuran6olate
(2Z)2(13benzodioxol5ylmethylidene)7((2methylpiperidinium1yl)methyl)3oxo23dihydro1benzofuran6olate
44664441
859665057
MFCD06495625
ZINC000020611616
ZINC000020611618

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Available files

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