Vitas-M small molecule compound

(3-acetyl-6-ethoxy-4-oxidoquinoxalin-2-yl)methyl 3-methylbenzoate

Catalog ID
STL234233
SMILES CCOc1ccc2c(c1)[n+]([O-])c(c(n2)COC(=O)c1cccc(c1)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 C21H20N2O5 MW 380.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20N2O5/c1-4-27-16-8-9-17-19(11-16)23(26)20(14(3)24)18(22-17)12-28-21(25)15-7-5-6-13(2)10-15/h5-11H,4,12H2,1-3H3
InChIKey
ILCRWLJDJZYWMX-UHFFFAOYSA-N
Synonyms
861149-15-7
(3acetyl6ethoxy4oxidoquinoxalin2yl)methyl3methylbenzoate
(3ACETYL6ETHOXY4OXIDOQUINOXALIN4IUM2YL)METHYL3METHYLBENZOATE
2acetyl7ethoxy3(((3methylbenzoyl)oxy)methyl)quinoxaline1oxide
861149157
CCOC1=CC2=C(C=C1)N=C(C(=(N+)2(O))C(=O)C)COC(=O)C3=CC(=CC=C3)C
CCOc1ccc2c(c1)(n+)((O))c(c(n2)COC(=O)c1cccc(c1)C)C(=O)C
InChI=1SC21H20N2O5c142716891719(1116)23(26)20(14(3)24)18(2217)122821(25)1575613(2)1015h511H412H213H3
MFCD05684536
ZINC000005478354
ZINC05478354
ZINC5478354

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Available files

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