Vitas-M small molecule compound

(2Z)-2-(4-ethoxybenzylidene)-3-oxo-7-(pyrrolidinium-1-ylmethyl)-2,3-dihydro-1-benzofuran-6-olate

Catalog ID
STK856234
SMILES CCOc1ccc(cc1)/C=C/1\Oc2c(C1=O)ccc(c2C[NH+]1CCCC1)[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 C22H23NO4 MW 365.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H23NO4/c1-2-26-16-7-5-15(6-8-16)13-20-21(25)17-9-10-19(24)18(22(17)27-20)14-23-11-3-4-12-23/h5-10,13,24H,2-4,11-12,14H2,1H3/b20-13-
InChIKey
YBCPVRWNIMMFBU-MOSHPQCFSA-N
Synonyms
887214-48-4
887214484
CCOc1ccc(cc1)C=C1Oc2c(C1=O)ccc(c2C(NH+)1CCCC1)(O)
MFCD06745641
ZINC000020624453

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Available files

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