Vitas-M small molecule compound
1-benzyl-1-(4-cyclohexyl-4-hydroxy-4-phenylbut-2-yn-1-yl)piperidinium
Catalog ID
STL327674
SMILES OC(c1ccccc1)(C1CCCCC1)C#CC[N+]1(CCCCC1)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 C28H36NO MW 402.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H36NO/c30-28(26-16-7-2-8-17-26,27-18-9-3-10-19-27)20-13-23-29(21-11-4-12-22-29)24-25-14-5-1-6-15-25/h1-2,5-8,14-17,27,30H,3-4,9-12,18-19,21-24H2/q+1InChIKey
MHYOWRSZCDHBTQ-UHFFFAOYSA-NSynonyms
1benzyl1(4cyclohexyl4hydroxy4phenylbut2yn1yl)piperidin1iumchloride
1benzyl1(4cyclohexyl4hydroxy4phenylbut2yn1yl)piperidinium
4(1BENZYLPIPERIDIN1IUM1YL)1CYCLOHEXYL1PHENYLBUT2YN1OL
C1CCC(CC1)C(C#CC(N+)2(CCCCC2)CC3=CC=CC=C3)(C4=CC=CC=C4)O
InChI=1SC28H36NOc3028(26167281726271893101927)20132329(21114122229)2425145161525h125814172730H3491218192124H2q+1
MFCD01950465
OC(c1ccccc1)(C1CCCCC1)C#CC(N+)1(CCCCC1)Cc1ccccc1
OC(c1ccccc1)(C1CCCCC1)C#CC(N+)1(CCCCC1)Cc1ccccc1(Cl)
ZINC000001822295
ZINC000001822296
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