Vitas-M small molecule compound

(3-acetyl-6-methoxy-4-oxidoquinoxalin-2-yl)methyl 3-methylbutanoate

Catalog ID
STL237293
SMILES COc1ccc2c(c1)[n+]([O-])c(c(n2)COC(=O)CC(C)C)C(=O)C

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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 C17H20N2O5 MW 332.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H20N2O5/c1-10(2)7-16(21)24-9-14-17(11(3)20)19(22)15-8-12(23-4)5-6-13(15)18-14/h5-6,8,10H,7,9H2,1-4H3
InChIKey
KSHKZFUSDJCLEX-UHFFFAOYSA-N
Synonyms
862104-96-9
(3acetyl6methoxy4oxidoquinoxalin2yl)methyl3methylbutanoate
(3ACETYL6METHOXY4OXIDOQUINOXALIN4IUM2YL)METHYL3METHYLBUTANOATE
2acetyl7methoxy3(((3methylbutanoyl)oxy)methyl)quinoxaline1oxide
862104969
CC(C)CC(=O)OCC1=NC2=C(C=C(C=C2)OC)(N+)(=C1C(=O)C)(O)
COc1ccc2c(c1)(n+)((O))c(c(n2)COC(=O)CC(C)C)C(=O)C
InChI=1SC17H20N2O5c110(2)716(21)2491417(11(3)20)19(22)15812(234)5613(15)1814h56810H79H214H3
MFCD05686706
ZINC000005500076
ZINC05500076
ZINC5500076

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Available files

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