Vitas-M small molecule compound

dibenzo[b,f]oxepine-2,3-dicarbonitrile

Catalog ID
STL433761
SMILES N#Cc1cc2C=Cc3c(Oc2cc1C#N)cccc3

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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 C16H8N2O MW 244.25 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H8N2O/c17-9-13-7-12-6-5-11-3-1-2-4-15(11)19-16(12)8-14(13)10-18/h1-8H
InChIKey
BHOIJLPCSDPZKS-UHFFFAOYSA-N
Synonyms

benzo(b)(1)benzoxepine23dicarbonitrile
C1=CC=C2C(=C1)C=CC3=C(O2)C=C(C(=C3)C#N)C#N
dibenzo(bf)oxepine23dicarbonitrile
InChI=1SC16H8N2Oc179137126511312415(11)1916(12)814(13)1018h18H
MFCD26097962
ZINC000078546281
ZINC78546281

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Available files

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