Vitas-M small molecule compound
3-benzyl-4,7-dimethyl-6-[(3-methylpiperidinium-1-yl)methyl]-2-oxo-2H-chromen-5-olate
Catalog ID
STL149941
SMILES CC1CCC[NH+](C1)Cc1c(C)cc2c(c1[O-])c(C)c(c(=O)o2)Cc1ccccc1
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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 C25H29NO3 MW 391.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H29NO3/c1-16-8-7-11-26(14-16)15-21-17(2)12-22-23(24(21)27)18(3)20(25(28)29-22)13-19-9-5-4-6-10-19/h4-6,9-10,12,16,27H,7-8,11,13-15H2,1-3H3InChIKey
ICMSVXKABUIKEH-UHFFFAOYSA-NSynonyms
573669-13-33BENZYL47DIMETHYL6((3METHYLPIPERIDIN1IUM1YL)METHYL)2OXOCHROMEN5OLATE
3benzyl47dimethyl6((3methylpiperidinium1yl)methyl)2oxo2Hchromen5olate
3BENZYL5HYDROXY47DIMETHYL6((3METHYLPIPERIDIN1YL)METHYL)CHROMEN2ONE
573669133
CC1CCC(NH+)(C1)Cc1c(C)cc2c(c1(O))c(C)c(c(=O)o2)Cc1ccccc1
CC1CCC(NH+)(C1)CC2=C(C3=C(C=C2C)OC(=O)C(=C3C)CC4=CC=CC=C4)(O)
InChI=1SC25H29NO3c116871126(1416)152117(2)122223(24(21)27)18(3)20(25(28)2922)131995461019h46910121627H78111315H213H3
MFCD04017336
ZINC000020290767
ZINC000020290769
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