Vitas-M small molecule compound

N-(1-benzofuran-2-ylmethyl)-N,N'-diethyl-N,N',N'-trimethylhexane-1,6-diaminium

Catalog ID
STL147216
SMILES CC[N+](Cc1cc2c(o1)cccc2)(CCCCCC[N+](CC)(C)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 C22H38N2O MW 346.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H38N2O/c1-6-23(3,4)16-12-8-9-13-17-24(5,7-2)19-21-18-20-14-10-11-15-22(20)25-21/h10-11,14-15,18H,6-9,12-13,16-17,19H2,1-5H3/q+2
InChIKey
BJODVBXJTHMVKO-UHFFFAOYSA-N
Synonyms

1BENZOFURAN2YLMETHYLETHYL(6(ETHYL(DIMETHYL)AZANIUMYL)HEXYL)METHYLAZANIUM
CC(N+)(C)(C)CCCCCC(N+)(C)(CC)CC1=CC2=CC=CC=C2O1
CC(N+)(Cc1cc2c(o1)cccc2)(CCCCCC(N+)(CC)(C)C)C
CC(N+)(Cc1cc2c(o1)cccc2)(CCCCCC(N+)(CC)(C)C)C(I)(I)
InChI=1SC22H38N2Oc1623(34)161289131724(572)192118201410111522(20)2521h1011141518H691213161719H215H3q+2
MFCD03305100
N(1benzofuran2ylmethyl)NNdiethylNNNtrimethylhexane16diaminium
N1(benzofuran2ylmethyl)N1N6diethylN1N6N6trimethylhexane16diaminiumiodide
ZINC000245245187
ZINC000245245188
ZINC01817418
ZINC1817418

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Available files

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