Vitas-M small molecule compound

(2-acetyl-4,5-dimethylphenoxy)acetonitrile

Catalog ID
STK705113
SMILES N#CCOc1cc(C)c(cc1C(=O)C)C

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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 C12H13NO2 MW 203.24 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H13NO2/c1-8-6-11(10(3)14)12(7-9(8)2)15-5-4-13/h6-7H,5H2,1-3H3
InChIKey
WDSVXCZNJUVAFF-UHFFFAOYSA-N
Synonyms
879906-57-7
(2acetyl45dimethylphenoxy)acetonitrile
2(2acetyl45dimethylphenoxy)acetonitrile
2(2ACETYL45DIMETHYLPHENOXY)ETHANENITRILE
879906577
CC1=C(C=C(C(=C1)C(=O)C)OCC#N)C
InChI=1SC12H13NO2c18611(10(3)14)12(79(8)2)155413h67H5H213H3
MFCD04446729
ZINC000006456235
ZINC06456235
ZINC6456235

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Available files

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