Vitas-M small molecule compound

4-(2,3-dimethylphenoxy)butanenitrile

Catalog ID
STL364563
SMILES Cc1c(OCCCC#N)cccc1C

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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 C12H15NO MW 189.26 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H15NO/c1-10-6-5-7-12(11(10)2)14-9-4-3-8-13/h5-7H,3-4,9H2,1-2H3
InChIKey
OMJJDWCZJGCLHW-UHFFFAOYSA-N
Synonyms
896657-11-7
4(23dimethylphenoxy)butanenitrile
896657117
CC1=C(C(=CC=C1)OCCCC#N)C
InChI=1SC12H15NOc11065712(11(10)2)14943813h57H349H212H3
MFCD08087461
ZINC000009236093
ZINC09236093
ZINC9236093

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Available files

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