Vitas-M small molecule compound

methyl 5-(2-cyanophenoxy)-4-oxopentanoate

Catalog ID
STK756134
SMILES COC(=O)CCC(=O)COc1ccccc1C#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 C13H13NO4 MW 247.25 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H13NO4/c1-17-13(16)7-6-11(15)9-18-12-5-3-2-4-10(12)8-14/h2-5H,6-7,9H2,1H3
InChIKey
IEULKCAYTBBXJY-UHFFFAOYSA-N
Synonyms
311782-19-1
311782191
COC(=O)CCC(=O)COC1=CC=CC=C1C#N
InChI=1SC13H13NO4c11713(16)7611(15)91812532410(12)814h25H679H21H3
methyl5(2cyanophenoxy)4oxopentanoate
MFCD01202946
ZINC000002201688
ZINC02201688
ZINC2201688

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Available files

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