Vitas-M small molecule compound

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

Catalog ID
STL052995
SMILES COc1cccc(c1)Oc1coc2c(c1=O)ccc(c2C[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 C22H24N2O5 MW 396.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H24N2O5/c1-23-8-10-24(11-9-23)13-18-19(25)7-6-17-21(26)20(14-28-22(17)18)29-16-5-3-4-15(12-16)27-2/h3-7,12,14,25H,8-11,13H2,1-2H3
InChIKey
PVNYUXFPDKKXKO-UHFFFAOYSA-N
Synonyms
845660-86-8
3(3methoxyphenoxy)8((4methylpiperazin1ium1yl)methyl)4oxo4Hchromen7olate
3(3methoxyphenoxy)8((4methylpiperazin1ium1yl)methyl)4oxochromen7olate
7HYDROXY3(3METHOXYPHENOXY)8((4METHYLPIPERAZIN1YL)METHYL)CHROMEN4ONE
845660868
CN1CC(NH+)(CC1)CC2=C(C=CC3=C2OC=C(C3=O)OC4=CC(=CC=C4)OC)(O)
COc1cccc(c1)Oc1coc2c(c1=O)ccc(c2C(NH+)1CCN(CC1)C)(O)
InChI=1SC22H24N2O5c12381024(11923)131819(25)761721(26)20(142822(17)18)291653415(1216)272h37121425H81113H212H3
MFCD04168225
ZINC000020412399
ZINC20412399

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Available files

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