Vitas-M small molecule compound
3-benzyl-8-{[(2-hydroxypropyl)ammonio]methyl}-4-methyl-2-oxo-2H-chromen-7-olate
Catalog ID
STL534976
SMILES CC(C[NH2+]Cc1c([O-])ccc2c1oc(=O)c(c2C)Cc1ccccc1)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 C21H23NO4 MW 353.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23NO4/c1-13(23)11-22-12-18-19(24)9-8-16-14(2)17(21(25)26-20(16)18)10-15-6-4-3-5-7-15/h3-9,13,22-24H,10-12H2,1-2H3InChIKey
KNZBSEZTYPMGCB-UHFFFAOYSA-NSynonyms
135639440
3benzyl8(((2hydroxypropyl)ammonio)methyl)4methyl2oxo2Hchromen7olate
3benzyl8((2hydroxypropylazaniumyl)methyl)4methyl2oxochromen7olate
InChI=1SC21H23NO4c113(23)1122121819(24)981614(2)17(21(25)2620(16)18)10156435715h39132224H1012H212H3
MFCD31754027
ZINC000008764700
ZINC000025071740
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