Vitas-M small molecule compound

3-(5,5-dimethyl-1,3-dioxan-2-yl)benzonitrile

Catalog ID
STK862374
SMILES N#Cc1cccc(c1)C1OCC(CO1)(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 C13H15NO2 MW 217.27 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H15NO2/c1-13(2)8-15-12(16-9-13)11-5-3-4-10(6-11)7-14/h3-6,12H,8-9H2,1-2H3
InChIKey
JRBPLZRBNNGHEL-UHFFFAOYSA-N
Synonyms

3(55DIMETHYL(13)DIOXAN2YL)BENZONITRILE
3(55dimethyl13dioxan2yl)benzonitrile
CC1(COC(OC1)C2=CC=CC(=C2)C#N)C
InChI=1SC13H15NO2c113(2)81512(16913)1153410(611)714h3612H89H212H3
MFCD00749292
ZINC000004744957
ZINC04744957
ZINC4744957

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Available files

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