Vitas-M small molecule compound

(3-acetyl-4-oxidoquinoxalin-2-yl)methyl 3-nitrobenzoate

Catalog ID
STL052675
SMILES CC(=O)c1c(COC(=O)c2cccc(c2)[N+](=O)[O-])nc2c([n+]1[O-])cccc2

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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 C18H13N3O6 MW 367.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H13N3O6/c1-11(22)17-15(19-14-7-2-3-8-16(14)20(17)24)10-27-18(23)12-5-4-6-13(9-12)21(25)26/h2-9H,10H2,1H3
InChIKey
WMRABDFPQFCIKW-UHFFFAOYSA-N
Synonyms
714929-45-0
(3acetyl4oxidoquinoxalin2yl)methyl3nitrobenzoate
(3ACETYL4OXIDOQUINOXALIN4IUM2YL)METHYL3NITROBENZOATE
2acetyl3(((3nitrobenzoyl)oxy)methyl)quinoxaline1oxide
714929450
CC(=O)C1=(N+)(C2=CC=CC=C2N=C1COC(=O)C3=CC(=CC=C3)(N+)(=O)(O))(O)
CC(=O)c1c(COC(=O)c2cccc(c2)(N+)(=O)(O))nc2c((n+)1(O))cccc2
InChI=1SC18H13N3O6c111(22)1715(1914723816(14)20(17)24)102718(23)1254613(912)21(25)26h29H10H21H3
MFCD05706483
ZINC000005577312
ZINC05577312
ZINC5577312

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Available files

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