Vitas-M small molecule compound
8-[(4-methylpiperazin-1-ium-1-yl)methyl]-4-oxo-3-[4-(propoxycarbonyl)phenoxy]-4H-chromen-7-olate
Catalog ID
STK567172
SMILES CCCOC(=O)c1ccc(cc1)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 C25H28N2O6 MW 452.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H28N2O6/c1-3-14-31-25(30)17-4-6-18(7-5-17)33-22-16-32-24-19(23(22)29)8-9-21(28)20(24)15-27-12-10-26(2)11-13-27/h4-9,16,28H,3,10-15H2,1-2H3InChIKey
YZBMOLWVWYHQKQ-UHFFFAOYSA-NSynonyms
847336-89-48((4methylpiperazin1ium1yl)methyl)4oxo3(4(propoxycarbonyl)phenoxy)4Hchromen7olate
8((4METHYLPIPERAZIN1IUM1YL)METHYL)4OXO3(4PROPOXYCARBONYLPHENOXY)CHROMEN7OLATE
CCCOC(=O)C1=CC=C(C=C1)OC2=COC3=C(C2=O)C=CC(=C3C(NH+)4CCN(CC4)C)(O)
CCCOC(=O)c1ccc(cc1)Oc1coc2c(c1=O)ccc(c2C(NH+)1CCN(CC1)C)(O)
InChI=1SC25H28N2O6c13143125(30)174618(7517)332216322419(23(22)29)8921(28)20(24)1527121026(2)111327h491628H31015H212H3
MFCD04179753
PROPYL4(7HYDROXY8((4METHYLPIPERAZIN1YL)METHYL)4OXOCHROMEN3YL)OXYBENZOATE
PROPYL4(7HYDROXY8((4METHYLPIPERAZINYL)METHYL)4OXOCHROMEN3YLOXY)BENZOATE
ZINC000019367264
ZINC19367264
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