Vitas-M small molecule compound
N,N'-dibenzyl-N,N,N',N'-tetramethyldodeca-2,10-diyne-1,12-diaminium
Catalog ID
STK729157
SMILES C[N+](Cc1ccccc1)(CC#CCCCCCCC#CC[N+](Cc1ccccc1)(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 C30H42N2 MW 430.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H42N2/c1-31(2,27-29-21-15-13-16-22-29)25-19-11-9-7-5-6-8-10-12-20-26-32(3,4)28-30-23-17-14-18-24-30/h13-18,21-24H,5-10,25-28H2,1-4H3/q+2InChIKey
WXPSRJDUDWGBKM-UHFFFAOYSA-NSynonyms
BENZYL(12(BENZYL(DIMETHYL)AZANIUMYL)DODECA210DIYNYL)DIMETHYLAZANIUM
C(N+)(C)(CC#CCCCCCCC#CC(N+)(C)(C)CC1=CC=CC=C1)CC2=CC=CC=C2
C(N+)(Cc1ccccc1)(CC#CCCCCCCC#CC(N+)(Cc1ccccc1)(C)C)C
C(N+)(Cc1ccccc1)(CC#CCCCCCCC#CC(N+)(Cc1ccccc1)(C)C)C(Cl)(Cl)
InChI=1SC30H42N2c131(22729211513162229)251911975681012202632(34)2830231714182430h13182124H5102528H214H3q+2
MFCD01943274
N1N12dibenzylN1N1N12N12tetramethyldodeca210diyne112diaminiumchloride
NNdibenzylNNNNtetramethyldodeca210diyne112diaminium
ZINC000001745948
ZINC01745948
ZINC1745948
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