Vitas-M small molecule compound
3-(3-methoxyphenyl)-8-[(4-methylpiperazin-1-ium-1-yl)methyl]-2-oxo-2H-chromen-7-olate
Catalog ID
STK640577
SMILES COc1cccc(c1)c1cc2ccc(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 C22H24N2O4 MW 380.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H24N2O4/c1-23-8-10-24(11-9-23)14-19-20(25)7-6-16-13-18(22(26)28-21(16)19)15-4-3-5-17(12-15)27-2/h3-7,12-13,25H,8-11,14H2,1-2H3InChIKey
GLLLPKUHFSDRCR-UHFFFAOYSA-NSynonyms
952001-16-03(3methoxyphenyl)8((4methylpiperazin1ium1yl)methyl)2oxo2Hchromen7olate
3(3methoxyphenyl)8((4methylpiperazin1ium1yl)methyl)2oxochromen7olate
7HYDROXY3(3METHOXYPHENYL)8((4METHYLPIPERAZINYL)METHYL)CHROMEN2ONE
CN1CC(NH+)(CC1)CC2=C(C=CC3=C2OC(=O)C(=C3)C4=CC(=CC=C4)OC)(O)
COc1cccc(c1)c1cc2ccc(c(c2oc1=O)C(NH+)1CCN(CC1)C)(O)
InChI=1SC22H24N2O4c12381024(11923)141920(25)76161318(22(26)2821(16)19)1543517(1215)272h37121325H81114H212H3
MFCD09850933
ZINC000022935482
ZINC22935482
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