Vitas-M small molecule compound

3-methyl-2-(2-oxopropyl)isoquinolinium

Catalog ID
STL147149
SMILES CC(=O)C[n+]1cc2ccccc2cc1C

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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 C13H14NO MW 200.26 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H14NO/c1-10-7-12-5-3-4-6-13(12)9-14(10)8-11(2)15/h3-7,9H,8H2,1-2H3/q+1
InChIKey
HAEPDCLRCNDBIJ-UHFFFAOYSA-N
Synonyms

1(3METHYLISOQUINOLIN2IUM2YL)PROPAN2ONE
3methyl2(2oxopropyl)isoquinolin2iumbromide
3methyl2(2oxopropyl)isoquinolinium
CC(=O)C(n+)1cc2ccccc2cc1C
CC(=O)C(n+)1cc2ccccc2cc1C(Br)
CC1=CC2=CC=CC=C2C=(N+)1CC(=O)C
InChI=1SC13H14NOc110712534613(12)914(10)811(2)15h379H8H212H3q+1
MFCD01090805
ZINC000002276022
ZINC02276022
ZINC2276022

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Available files

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