Vitas-M small molecule compound
(3E)-3-[2-(3-methoxyphenyl)-2-oxoethylidene]-7-nitro-3,4-dihydro-2H-1,4-benzoxazin-2-one
Catalog ID
STK998167
SMILES COc1cccc(c1)C(=O)/C=c\1/[nH]c2ccc(cc2oc1=O)[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/c1-24-12-4-2-3-10(7-12)15(20)9-14-17(21)25-16-8-11(19(22)23)5-6-13(16)18-14/h2-9,18H,1H3/b14-9+InChIKey
DCFDMLIPKYSXAX-NTEUORMPSA-NSynonyms
(3E)3(2(3methoxyphenyl)2oxoethylidene)7nitro34dihydro2H14benzoxazin2one
(3E)3(2(3METHOXYPHENYL)2OXOETHYLIDENE)7NITRO4H14BENZOXAZIN2ONE
(E)3(2(3methoxyphenyl)2oxoethylidene)7nitro34dihydro2Hbenzo(b)(14)oxazin2one
COC1=CC=CC(=C1)C(=O)C=C2C(=O)OC3=C(N2)C=CC(=C3)(N+)(=O)(O)
COc1cccc(c1)C(=O)C=c1(nH)c2ccc(cc2oc1=O)(N+)(=O)(O)
InChI=1SC17H12N2O6c1241242310(712)15(20)91417(21)2516811(19(22)23)5613(16)1814h2918H1H3b149+
MFCD03294993
ZINC000100820677
ZINC100820677
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