Vitas-M small molecule compound

propyl 4-(cyanomethoxy)benzoate

Catalog ID
STK888450
SMILES CCCOC(=O)c1ccc(cc1)OCC#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 C12H13NO3 MW 219.24 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H13NO3/c1-2-8-16-12(14)10-3-5-11(6-4-10)15-9-7-13/h3-6H,2,8-9H2,1H3
InChIKey
ZWEGLRXDWOULCD-UHFFFAOYSA-N
Synonyms
243657-96-7
243657967
CCCOC(=O)C1=CC=C(C=C1)OCC#N
InChI=1SC12H13NO3c1281612(14)103511(6410)159713h36H289H21H3
MFCD02656369
propyl4(cyanomethoxy)benzoate
ZINC000001776904
ZINC01776904
ZINC1776904

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Available files

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