Vitas-M small molecule compound

(5-bromo-2-hydroxy-3-methoxybenzylidene)propanedinitrile

Catalog ID
STK119084
SMILES N#CC(=Cc1cc(Br)cc(c1O)OC)C#N

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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 C11H7BrN2O2 MW 279.09 g/mol Purity >90% as per NMR
InChI
InChI=1S/C11H7BrN2O2/c1-16-10-4-9(12)3-8(11(10)15)2-7(5-13)6-14/h2-4,15H,1H3
InChIKey
NJHVFOUBFOTSKF-UHFFFAOYSA-N
Synonyms
357227-84-0
(5BROMO2HYDROXY3METHOXYBENZYLIDENE)PROPANEDINITRILE
2((5BROMO2HYDROXY3METHOXYPHENYL)METHYLIDENE)PROPANEDINITRILE
357227840
COC1=C(C(=CC(=C1)Br)C=C(C#N)C#N)O
InChI=1SC11H7BrN2O2c1161049(12)38(11(10)15)27(513)614h2415H1H3
MFCD04227189
ZINC000001410799
ZINC01410799
ZINC1410799

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Available files

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