Vitas-M small molecule compound

8'-[(3-methylpiperidinium-1-yl)methyl]-2,2'-dioxo-2H,2'H-3,4'-bichromen-7'-olate

Catalog ID
STL532263
SMILES CC1CCC[NH+](C1)Cc1c([O-])ccc2c1oc(=O)cc2c1cc2ccccc2oc1=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 C25H23NO5 MW 417.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H23NO5/c1-15-5-4-10-26(13-15)14-20-21(27)9-8-17-18(12-23(28)31-24(17)20)19-11-16-6-2-3-7-22(16)30-25(19)29/h2-3,6-9,11-12,15,27H,4-5,10,13-14H2,1H3
InChIKey
RBLPNGHTIAUSCA-UHFFFAOYSA-N
Synonyms
859130-33-9
44666002
8((3methylpiperidin1ium1yl)methyl)2oxo4(2oxochromen3yl)chromen7olate
8((3methylpiperidinium1yl)methyl)22dioxo2H2H34bichromen7olate
859130339
MFCD06405851
ZINC000004082295
ZINC000004082296

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Available files

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