Vitas-M small molecule compound

(2Z)-2-(1,3-benzodioxol-5-ylmethylidene)-3-oxo-7-(piperidinium-1-ylmethyl)-2,3-dihydro-1-benzofuran-6-olate

Catalog ID
STL515386
SMILES O=C1/C(=C/c2ccc3c(c2)OCO3)/Oc2c1ccc(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 C22H21NO5 MW 379.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21NO5/c24-17-6-5-15-21(25)20(11-14-4-7-18-19(10-14)27-13-26-18)28-22(15)16(17)12-23-8-2-1-3-9-23/h4-7,10-11,24H,1-3,8-9,12-13H2/b20-11-
InChIKey
OGWHLYVANZQMBK-JAIQZWGSSA-N
Synonyms
859664-44-1
(2~(Z))2(13benzodioxol5ylmethylidene)3oxo7(piperidin1ium1ylmethyl)1benzofuran6olate
(2Z)2(13benzodioxol5ylmethylidene)3oxo7(piperidinium1ylmethyl)23dihydro1benzofuran6olate
40152350
859664441
MFCD06494927
ZINC000002133426

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Available files

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