Vitas-M small molecule compound

3-(2,5-dimethoxyphenyl)-4-methyl-8-[(4-methylpiperazin-1-ium-1-yl)methyl]-2-oxo-2H-chromen-7-olate

Catalog ID
STL514695
SMILES COc1ccc(cc1c1c(=O)oc2c(c1C)ccc(c2C[NH+]1CCN(CC1)C)[O-])OC

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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 C24H28N2O5 MW 424.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H28N2O5/c1-15-17-6-7-20(27)19(14-26-11-9-25(2)10-12-26)23(17)31-24(28)22(15)18-13-16(29-3)5-8-21(18)30-4/h5-8,13,27H,9-12,14H2,1-4H3
InChIKey
CBSUXYKSJKVIOG-UHFFFAOYSA-N
Synonyms
864762-81-2
3(25dimethoxyphenyl)4methyl8((4methylpiperazin1ium1yl)methyl)2oxo2Hchromen7olate
3(25dimethoxyphenyl)4methyl8((4methylpiperazin1ium1yl)methyl)2oxochromen7olate
44665904
864762812
MFCD06768675
ZINC000020756172

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Available files

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