Vitas-M small molecule compound

3-(2,3-dihydro-1,4-benzodioxin-6-yl)-8-[(2-methylpiperidinium-1-yl)methyl]-4-oxo-4H-chromen-7-olate

Catalog ID
STL528840
SMILES [O-]c1ccc2c(c1C[NH+]1CCCCC1C)occ(c2=O)c1ccc2c(c1)OCCO2

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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 C24H25NO5 MW 407.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H25NO5/c1-15-4-2-3-9-25(15)13-18-20(26)7-6-17-23(27)19(14-30-24(17)18)16-5-8-21-22(12-16)29-11-10-28-21/h5-8,12,14-15,26H,2-4,9-11,13H2,1H3
InChIKey
PDDVWHNZUGPPBD-UHFFFAOYSA-N
Synonyms
637751-96-3
3(23dihydro14benzodioxin6yl)8((2methylpiperidinium1yl)methyl)4oxo4Hchromen7olate
4979189
637751963
MFCD04146147
ZINC000019938608
ZINC000019938609

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Available files

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