Vitas-M small molecule compound

N-benzyl-5-hydroxy-N,N,2-trimethyl-5,5-diphenylpent-3-yn-2-aminium

Catalog ID
STK729184
SMILES OC(c1ccccc1)(c1ccccc1)C#CC([N+](Cc1ccccc1)(C)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 C27H30NO MW 384.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H30NO/c1-26(2,28(3,4)22-23-14-8-5-9-15-23)20-21-27(29,24-16-10-6-11-17-24)25-18-12-7-13-19-25/h5-19,29H,22H2,1-4H3/q+1
InChIKey
FSPLAVALOOLFEL-UHFFFAOYSA-N
Synonyms

BENZYL(5HYDROXY2METHYL55DIPHENYLPENT3YN2YL)DIMETHYLAZANIUM
CC(C)(C#CC(C1=CC=CC=C1)(C2=CC=CC=C2)O)(N+)(C)(C)CC3=CC=CC=C3
InChI=1SC27H30NOc126(228(34)2223148591523)202127(292416106111724)2518127131925h51929H22H214H3q+1
MFCD02994790
Nbenzyl5hydroxyNN2trimethyl55diphenylpent3yn2aminium
Nbenzyl5hydroxyNN2trimethyl55diphenylpent3yn2aminiumchloride
OC(c1ccccc1)(c1ccccc1)C#CC((N+)(Cc1ccccc1)(C)C)(C)C
OC(c1ccccc1)(c1ccccc1)C#CC((N+)(Cc1ccccc1)(C)C)(C)C(Cl)
ZINC000004811982
ZINC04811982
ZINC4811982

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Available files

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