Vitas-M small molecule compound
8-{[(1,3-benzodioxol-5-ylmethyl)ammonio]methyl}-3-(3-ethoxy-3-oxopropyl)-4-methyl-2-oxo-2H-chromen-7-olate
Catalog ID
STL518661
SMILES CCOC(=O)CCc1c(=O)oc2c(c1C)ccc(c2C[NH2+]Cc1ccc2c(c1)OCO2)[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 C24H25NO7 MW 439.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H25NO7/c1-3-29-22(27)9-6-17-14(2)16-5-7-19(26)18(23(16)32-24(17)28)12-25-11-15-4-8-20-21(10-15)31-13-30-20/h4-5,7-8,10,25-26H,3,6,9,11-13H2,1-2H3InChIKey
BRMJFPSKBOGHMO-UHFFFAOYSA-NSynonyms
135638509
8(((13benzodioxol5ylmethyl)ammonio)methyl)3(3ethoxy3oxopropyl)4methyl2oxo2Hchromen7olate
8((13benzodioxol5ylmethylazaniumyl)methyl)3(3ethoxy3oxopropyl)4methyl2oxochromen7olate
InChI=1SC24H25NO7c132922(27)961714(2)165719(26)18(23(16)3224(17)28)12251115482021(1015)31133020h4578102526H3691113H212H3
MFCD08742968
ZINC000008764498
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