Vitas-M small molecule compound
N-(1-benzofuran-2-ylmethyl)-N,N',N',N'-tetraethyl-N-methylnonane-1,9-diaminium
Catalog ID
STL147207
SMILES CC[N+](Cc1cc2c(o1)cccc2)(CCCCCCCCC[N+](CC)(CC)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 C27H48N2O MW 416.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H48N2O/c1-6-28(5,24-26-23-25-19-15-16-20-27(25)30-26)21-17-13-11-10-12-14-18-22-29(7-2,8-3)9-4/h15-16,19-20,23H,6-14,17-18,21-22,24H2,1-5H3/q+2InChIKey
LDIOHXJTIAHYPA-UHFFFAOYSA-NSynonyms
1BENZOFURAN2YLMETHYLETHYLMETHYL(9(TRIETHYLAZANIUMYL)NONYL)AZANIUM
CC(N+)(C)(CCCCCCCCC(N+)(CC)(CC)CC)CC1=CC2=CC=CC=C2O1
CC(N+)(Cc1cc2c(o1)cccc2)(CCCCCCCCC(N+)(CC)(CC)CC)C
CC(N+)(Cc1cc2c(o1)cccc2)(CCCCCCCCC(N+)(CC)(CC)CC)C(I)(I)
InChI=1SC27H48N2Oc1628(5242623251915162027(25)3026)21171311101214182229(7283)94h1516192023H6141718212224H215H3q+2
MFCD03293759
N(1benzofuran2ylmethyl)NNNNtetraethylNmethylnonane19diaminium
N1(benzofuran2ylmethyl)N1N9N9N9tetraethylN1methylnonane19diaminiumiodide
ZINC000245246422
ZINC000245246423
ZINC04311985
ZINC4311985
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