Vitas-M small molecule compound

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

Catalog ID
STK569024
SMILES O=C(c1ccc(cc1)[N+](=O)[O-])OCc1nc2ccccc2[n+](c1C(=O)C)[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 C18H13N3O6 MW 367.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H13N3O6/c1-11(22)17-15(19-14-4-2-3-5-16(14)20(17)24)10-27-18(23)12-6-8-13(9-7-12)21(25)26/h2-9H,10H2,1H3
InChIKey
DNECWHUOKBVFIY-UHFFFAOYSA-N
Synonyms
714233-65-5
(3acetyl4oxidoquinoxalin2yl)methyl4nitrobenzoate
(3ACETYL4OXIDOQUINOXALIN4IUM2YL)METHYL4NITROBENZOATE
2acetyl3(((4nitrobenzoyl)oxy)methyl)quinoxaline1oxide
714233655
CC(=O)C1=(N+)(C2=CC=CC=C2N=C1COC(=O)C3=CC=C(C=C3)(N+)(=O)(O))(O)
InChI=1SC18H13N3O6c111(22)1715(1914423516(14)20(17)24)102718(23)126813(9712)21(25)26h29H10H21H3
MFCD05689038
O=C(c1ccc(cc1)(N+)(=O)(O))OCc1nc2ccccc2(n+)(c1C(=O)C)(O)
ZINC000005518830
ZINC05518830
ZINC5518830

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Available files

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