Vitas-M small molecule compound

N-(1-benzofuran-2-ylmethyl)-N,N,N',N',N'-pentaethyloctane-1,8-diaminium

Catalog ID
STK997753
SMILES CC[N+](Cc1cc2c(o1)cccc2)(CCCCCCCC[N+](CC)(CC)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 C27H48N2O MW 416.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H48N2O/c1-6-28(7-2,8-3)21-17-13-11-12-14-18-22-29(9-4,10-5)24-26-23-25-19-15-16-20-27(25)30-26/h15-16,19-20,23H,6-14,17-18,21-22,24H2,1-5H3/q+2
InChIKey
UUQOFJNYGDPXSN-UHFFFAOYSA-N
Synonyms

1BENZOFURAN2YLMETHYLDIETHYL(8(TRIETHYLAZANIUMYL)OCTYL)AZANIUM
CC(N+)(CC)(CC)CCCCCCCC(N+)(CC)(CC)CC1=CC2=CC=CC=C2O1
CC(N+)(Cc1cc2c(o1)cccc2)(CCCCCCCC(N+)(CC)(CC)CC)CC
CC(N+)(Cc1cc2c(o1)cccc2)(CCCCCCCC(N+)(CC)(CC)CC)CC(I)(I)
InChI=1SC27H48N2Oc1628(7283)211713111214182229(94105)242623251915162027(25)3026h1516192023H6141718212224H215H3q+2
MFCD03301473
N(1benzofuran2ylmethyl)NNNNNpentaethyloctane18diaminium
N1(benzofuran2ylmethyl)N1N1N8N8N8pentaethyloctane18diaminiumiodide
ZINC000004424985
ZINC04424985
ZINC4424985

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Available files

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