Vitas-M small molecule compound

4-(5-bromo-4-formyl-2-methoxyphenoxy)butanenitrile

Catalog ID
STL376942
SMILES COc1cc(C=O)c(cc1OCCCC#N)Br

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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 C12H12BrNO3 MW 298.14 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H12BrNO3/c1-16-11-6-9(8-15)10(13)7-12(11)17-5-3-2-4-14/h6-8H,2-3,5H2,1H3
InChIKey
OVEABZHNDNOLCC-UHFFFAOYSA-N
Synonyms
874590-76-8
4(5bromo4formyl2methoxyphenoxy)butanenitrile
874590768
COC1=C(C=C(C(=C1)C=O)Br)OCCCC#N
InChI=1SC12H12BrNO3c1161169(815)10(13)712(11)17532414h68H235H21H3
MFCD06761589
ZINC000015009423
ZINC15009423

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Available files

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