Vitas-M small molecule compound

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

Catalog ID
STL515940
SMILES COc1cc(OC)ccc1c1cc2ccc(c(c2oc1=O)C[NH+]1CCN(CC1)C)[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 C23H26N2O5 MW 410.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H26N2O5/c1-24-8-10-25(11-9-24)14-19-20(26)7-4-15-12-18(23(27)30-22(15)19)17-6-5-16(28-2)13-21(17)29-3/h4-7,12-13,26H,8-11,14H2,1-3H3
InChIKey
XIQUBZNKBZPDKT-UHFFFAOYSA-N
Synonyms
864752-79-4
3(24dimethoxyphenyl)8((4methylpiperazin1ium1yl)methyl)2oxo2Hchromen7olate
3(24dimethoxyphenyl)8((4methylpiperazin1ium1yl)methyl)2oxochromen7olate
44666343
864752794
MFCD06767246
ZINC000020612275

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Available files

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