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

Contact us by email for worldwide delivery information, pricing, and real‑time availability. Send us your quotation request, and we will confirm stock levels, provide exact costs and lead times, suggest alternatives or find analogs when helpful, and share any additional specifications you may need.

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+1
InChIKey
RAXYPPAEMQSYTD-UHFFFAOYSA-N
Synonyms

(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

Check stock

See real-time availability and sample size for STL112731 on the Vitas-M platform.

Check stock on Vitas-M

Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.