Vitas-M small molecule compound

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

Catalog ID
STL050469
SMILES CN1CC[NH+](CC1)Cc1c([O-])ccc2c1occ(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 C23H24N2O5 MW 408.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H24N2O5/c1-24-6-8-25(9-7-24)13-17-19(26)4-3-16-22(27)18(14-30-23(16)17)15-2-5-20-21(12-15)29-11-10-28-20/h2-5,12,14,26H,6-11,13H2,1H3
InChIKey
IOCWTRVEFHSTBU-UHFFFAOYSA-N
Synonyms
844831-08-9
3(23dihydro14benzodioxin6yl)8((4methylpiperazin1ium1yl)methyl)4oxo4Hchromen7olate
CN1CC(NH+)(CC1)Cc1c((O))ccc2c1occ(c2=O)c1ccc2c(c1)OCCO2

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Available files

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