Vitas-M small molecule compound
8-{[(1,3-benzodioxol-5-ylmethyl)ammonio]methyl}-3-(2-methoxy-2-oxoethyl)-4-methyl-2-oxo-2H-chromen-7-olate
Catalog ID
STL518720
SMILES COC(=O)Cc1c(=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 C22H21NO7 MW 411.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21NO7/c1-12-14-4-5-17(24)16(21(14)30-22(26)15(12)8-20(25)27-2)10-23-9-13-3-6-18-19(7-13)29-11-28-18/h3-7,23-24H,8-11H2,1-2H3InChIKey
JZCGNVVMQXTBEE-UHFFFAOYSA-NSynonyms
135638511
8(((13benzodioxol5ylmethyl)ammonio)methyl)3(2methoxy2oxoethyl)4methyl2oxo2Hchromen7olate
8((13benzodioxol5ylmethylazaniumyl)methyl)3(2methoxy2oxoethyl)4methyl2oxochromen7olate
InChI=1SC22H21NO7c112144517(24)16(21(14)3022(26)15(12)820(25)272)1023913361819(713)29112818h372324H811H212H3
MFCD08743016
ZINC000008764552
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