Vitas-M small molecule compound
1-benzyl-1-(5-ethyl-4-hydroxy-5-methyl-4-phenylhept-2-yn-1-yl)piperidinium
Catalog ID
STL112731
SMILES CCC(C(c1ccccc1)(C#CC[N+]1(CCCCC1)Cc1ccccc1)O)(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 C28H38NO MW 404.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H38NO/c1-4-27(3,5-2)28(30,26-18-11-7-12-19-26)20-15-23-29(21-13-8-14-22-29)24-25-16-9-6-10-17-25/h6-7,9-12,16-19,30H,4-5,8,13-14,21-24H2,1-3H3/q+1InChIKey
RAXYPPAEMQSYTD-UHFFFAOYSA-NSynonyms
(R)1benzyl1(5ethyl4hydroxy5methyl4phenylhept2yn1yl)piperidin1iumchloride
1(1BENZYLPIPERIDIN1IUM1YL)5ETHYL5METHYL4PHENYLHEPT2YN4OL
1benzyl1(5ethyl4hydroxy5methyl4phenylhept2yn1yl)piperidinium
CCC(C(c1ccccc1)(C#CC(N+)1(CCCCC1)Cc1ccccc1)O)(CC)C
CCC(C(c1ccccc1)(C#CC(N+)1(CCCCC1)Cc1ccccc1)O)(CC)C(Cl)
CCC(C)(CC)C(C#CC(N+)1(CCCCC1)CC2=CC=CC=C2)(C3=CC=CC=C3)O
InChI=1SC28H38NOc1427(352)28(302618117121926)20152329(21138142229)24251696101725h67912161930H45813142124H213H3q+1
MFCD01950732
ZINC000004808326
ZINC000004808328
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