Vitas-M small molecule compound

1-[2-oxo-2-(prop-2-yn-1-yloxy)ethyl]-1-(prop-2-yn-1-yl)piperidinium

Catalog ID
STL330888
SMILES C#CCOC(=O)C[N+]1(CCCCC1)CC#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 C13H18NO2 MW 220.29 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H18NO2/c1-3-8-14(9-6-5-7-10-14)12-13(15)16-11-4-2/h1-2H,5-12H2/q+1
InChIKey
NFRFKPQYIYLJLU-UHFFFAOYSA-N
Synonyms

1(2oxo2(prop2yn1yloxy)ethyl)1(prop2yn1yl)piperidin1iumbromide
1(2oxo2(prop2yn1yloxy)ethyl)1(prop2yn1yl)piperidinium
C#CC(N+)1(CCCCC1)CC(=O)OCC#C
C#CCOC(=O)C(N+)1(CCCCC1)CC#C
C#CCOC(=O)C(N+)1(CCCCC1)CC#C(Br)
InChI=1SC13H18NO2c13814(96571014)1213(15)161142h12H512H2q+1
MFCD02999130
PROP2YNYL2(1PROP2YNYLPIPERIDIN1IUM1YL)ACETATE
ZINC000001820807
ZINC01820807
ZINC1820807

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Available files

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