Vitas-M small molecule compound

N,N,N-triethyl-2-{[(3-methyl-1-benzofuran-2-yl)carbonyl]oxy}ethanaminium

Catalog ID
STL058807
SMILES CC[N+](CCOC(=O)c1oc2c(c1C)cccc2)(CC)CC

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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 C18H26NO3 MW 304.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H26NO3/c1-5-19(6-2,7-3)12-13-21-18(20)17-14(4)15-10-8-9-11-16(15)22-17/h8-11H,5-7,12-13H2,1-4H3/q+1
InChIKey
PDULCLCCAFZKCO-UHFFFAOYSA-N
Synonyms

CC(N+)(CC)(CC)CCOC(=O)C1=C(C2=CC=CC=C2O1)C
CC(N+)(CCOC(=O)c1oc2c(c1C)cccc2)(CC)CC
CC(N+)(CCOC(=O)c1oc2c(c1C)cccc2)(CC)CC(I)
InChI=1SC18H26NO3c1519(6273)12132118(20)1714(4)1510891116(15)2217h811H571213H214H3q+1
NNNtriethyl2(((3methyl1benzofuran2yl)carbonyl)oxy)ethanaminium
NNNtriethyl2((3methylbenzofuran2carbonyl)oxy)ethanaminiumiodide
TRIETHYL(2(3METHYL1BENZOFURAN2CARBONYL)OXYETHYL)AZANIUM
ZINC000005352879
ZINC05352879
ZINC5352879

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Available files

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