Vitas-M small molecule compound

(2Z)-7-[(2-methylpiperidinium-1-yl)methyl]-2-(4-nitrobenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-olate

Catalog ID
STK575296
SMILES O=C1/C(=C/c2ccc(cc2)[N+](=O)[O-])/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 C22H22N2O5 MW 394.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22N2O5/c1-14-4-2-3-11-23(14)13-18-19(25)10-9-17-21(26)20(29-22(17)18)12-15-5-7-16(8-6-15)24(27)28/h5-10,12,14,25H,2-4,11,13H2,1H3/b20-12-
InChIKey
LWIRBGUTAVQGHG-NDENLUEZSA-N
Synonyms
896833-01-5
896833015
MFCD06599833
O=C1C(=Cc2ccc(cc2)(N+)(=O)(O))Oc2c1ccc(c2C(NH+)1CCCCC1C)(O)
ZINC000020518172
ZINC000020518174

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.