Vitas-M small molecule compound
2-(3-methyl-4-nitrophenyl)-4-oxo-4H-3,1-benzoxazin-6-yl acetate
Catalog ID
STK156269
SMILES CC(=O)Oc1ccc2c(c1)c(=O)oc(n2)c1ccc(c(c1)C)[N+](=O)[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 C17H12N2O6 MW 340.29 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H12N2O6/c1-9-7-11(3-6-15(9)19(22)23)16-18-14-5-4-12(24-10(2)20)8-13(14)17(21)25-16/h3-8H,1-2H3InChIKey
QFRGPFBWNWFFMP-UHFFFAOYSA-NSynonyms
(2(3METHYL4NITROPHENYL)4OXO31BENZOXAZIN6YL)ACETATE
2(3METHYL4NITROPHENYL)4OXO4H31BENZOXAZIN6YLACETATE
ACETICACID2(3METHYL4NITROPHENYL)4OXO4HBENZO(D)(13)OXAZIN6YLESTER
CC(=O)Oc1ccc2c(c1)c(=O)oc(n2)c1ccc(c(c1)C)(N+)(=O)(O)
CC1=C(C=CC(=C1)C2=NC3=C(C=C(C=C3)OC(=O)C)C(=O)O2)(N+)(=O)(O)
InChI=1SC17H12N2O6c19711(3615(9)19(22)23)1618145412(2410(2)20)813(14)17(21)2516h38H12H3
MFCD01159166
ZINC000000079469
ZINC00079469
ZINC79469
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