Vitas-M small molecule compound
1,1'-(benzene-1,4-diyldiprop-1-yne-1,3-diyl)bis(1-benzylpiperidinium)
Catalog ID
STL043253
SMILES C1CC[N+](CC1)(CC#Cc1ccc(cc1)C#CC[N+]1(CCCCC1)Cc1ccccc1)Cc1ccccc1
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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 C36H42N2 MW 502.74 g/mol Purity >90% as per NMR
InChI
InChI=1S/C36H42N2/c1-5-15-35(16-6-1)31-37(25-9-3-10-26-37)29-13-19-33-21-23-34(24-22-33)20-14-30-38(27-11-4-12-28-38)32-36-17-7-2-8-18-36/h1-2,5-8,15-18,21-24H,3-4,9-12,25-32H2/q+2InChIKey
UKHFLLRCUZOZET-UHFFFAOYSA-NSynonyms
11(14phenylenebis(prop2yne31diyl))bis(1benzylpiperidin1ium)chloride
11(benzene14diyldiprop1yne13diyl)bis(1benzylpiperidinium)
1BENZYL1(3(4(3(1BENZYLPIPERIDIN1IUM1YL)PROP1YNYL)PHENYL)PROP2YNYL)PIPERIDIN1IUM
C1CC(N+)(CC1)(CC#Cc1ccc(cc1)C#CC(N+)1(CCCCC1)Cc1ccccc1)Cc1ccccc1
C1CC(N+)(CC1)(CC#Cc1ccc(cc1)C#CC(N+)1(CCCCC1)Cc1ccccc1)Cc1ccccc1(Cl)(Cl)
C1CC(N+)(CC1)(CC#CC2=CC=C(C=C2)C#CC(N+)3(CCCCC3)CC4=CC=CC=C4)CC5=CC=CC=C5
InChI=1SC36H42N2c151535(1661)3137(2593102637)29131933212334(242233)20143038(27114122838)3236177281836h125815182124H349122532H2q+2
ZINC000013757130
ZINC13757130
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