Vitas-M small molecule compound

methyl 3-nitrodibenzo[b,f]oxepine-1-carboxylate

Catalog ID
STK782785
SMILES COC(=O)c1cc(cc2c1C=Cc1c(O2)cccc1)[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 C16H11NO5 MW 297.27 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H11NO5/c1-21-16(18)13-8-11(17(19)20)9-15-12(13)7-6-10-4-2-3-5-14(10)22-15/h2-9H,1H3
InChIKey
MUYZSHGCIHLPAM-UHFFFAOYSA-N
Synonyms

COC(=O)C1=CC(=CC2=C1C=CC3=CC=CC=C3O2)(N+)(=O)(O)
COC(=O)c1cc(cc2c1C=Cc1c(O2)cccc1)(N+)(=O)(O)
InChI=1SC16H11NO5c12116(18)13811(17(19)20)91512(13)7610423514(10)2215h29H1H3
METHYL2NITROBENZO(B)(1)BENZOXEPINE4CARBOXYLATE
METHYL3NITRODIBENZO(BF)OXEPINCARBOXYLATE
methyl3nitrodibenzo(bf)oxepine1carboxylate
MFCD06616858
ZINC000004743811
ZINC04743811
ZINC4743811

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.