Vitas-M small molecule compound
4,4'-(benzene-1,4-diyldiprop-1-yne-1,3-diyl)bis(4-benzylmorpholin-4-ium)
Catalog ID
STL330179
SMILES O1CC[N+](CC1)(CC#Cc1ccc(cc1)C#CC[N+]1(CCOCC1)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 C34H38N2O2 MW 506.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H38N2O2/c1-3-9-33(10-4-1)29-35(21-25-37-26-22-35)19-7-13-31-15-17-32(18-16-31)14-8-20-36(23-27-38-28-24-36)30-34-11-5-2-6-12-34/h1-6,9-12,15-18H,19-30H2/q+2InChIKey
NLYIJCKLXXHVNT-UHFFFAOYSA-NSynonyms
44(benzene14diyldiprop1yne13diyl)bis(4benzylmorpholin4ium)
4BENZYL4(3(4(3(4BENZYLMORPHOLIN4IUM4YL)PROP1YNYL)PHENYL)PROP2YNYL)MORPHOLIN4IUM
C1COCC(N+)1(CC#CC2=CC=C(C=C2)C#CC(N+)3(CCOCC3)CC4=CC=CC=C4)CC5=CC=CC=C5
InChI=1SC34H38N2O2c13933(1041)2935(212537262235)1971331151732(181631)1482036(232738282436)3034115261234h169121518H1930H2q+2
MFCD01945034
O1CC(N+)(CC1)(CC#Cc1ccc(cc1)C#CC(N+)1(CCOCC1)Cc1ccccc1)Cc1ccccc1
ZINC000009348690
ZINC09348690
ZINC9348690
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