Vitas-M small molecule compound

1-methyl-3-(6,8,9-trimethyl-3-oxabicyclo[3.3.1]non-7-en-2-yl)pyridinium

Catalog ID
STK075029
SMILES CC1=CC(C)C2C(C1C(OC2)c1ccc[n+](c1)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 C17H24NO MW 258.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H24NO/c1-11-8-12(2)16-13(3)15(11)10-19-17(16)14-6-5-7-18(4)9-14/h5-9,11,13,15-17H,10H2,1-4H3/q+1
InChIKey
JHAJBRWIERGXKC-UHFFFAOYSA-N
Synonyms

1METHYL3((1R2S5R6S9S)689TRIMETHYL3OXABICYCLO(331)NON7EN2YL)PYRIDINIUM
1methyl3((1R5R9S)689trimethyl3oxabicyclo(331)non7en2yl)pyridin1iumiodide
1METHYL3(249TRIMETHYL7OXABICYCLO(331)NON3EN6YL)PYRIDIN1IUM
1METHYL3(689TRIMETHYL3OXABICYCLO(331)NON7EN2YL)PYRIDINIUM
689TRIMETHYL4(1METHYL(3PYRIDYL))3OXABICYCLO(331)NON6ENE
CC1=CC(C)(C@@H)2C((C@H)1C(OC2)c1ccc(n+)(c1)C)C(I)
CC1=CC(C)C2C(C1C(OC2)c1ccc(n+)(c1)C)C
CC1C=C(C2C(C1COC2C3=C(N+)(=CC=C3)C)C)C
InChI=1SC17H24NOc111812(2)1613(3)15(11)101917(16)1465718(4)914h5911131517H10H214H3q+1
MFCD02044680
STK075029
ZINC000100568339
ZINC000239121085

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Available files

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