Vitas-M small molecule compound

3-(3,4-dimethylphenyl)-3-hydroxy-1-methyl-2-methylidene-1-azoniabicyclo[2.2.2]octane

Catalog ID
STL036725
SMILES Cc1ccc(cc1C)C1(O)C2CC[N+](C1=C)(CC2)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/c1-12-5-6-16(11-13(12)2)17(19)14(3)18(4)9-7-15(17)8-10-18/h5-6,11,15,19H,3,7-10H2,1-2,4H3/q+1
InChIKey
LTNJKVDNWYLFGC-UHFFFAOYSA-N
Synonyms

(1s4s)3(34dimethylphenyl)3hydroxy1methyl2methylenequinuclidin1iumiodide
3(34DIMETHYLPHENYL)1METHYL2METHYLIDENE1AZONIABICYCLO(222)OCTAN3OL
3(34dimethylphenyl)3hydroxy1methyl2methylidene1azoniabicyclo(222)octane
CC1=C(C=C(C=C1)C2(C3CC(N+)(C2=C)(CC3)C)O)C
Cc1ccc(cc1C)C1(O)C2CC(N+)(C1=C)(CC2)C
Cc1ccc(cc1C)C1(O)C2CC(N+)(C1=C)(CC2)C(I)
InChI=1SC17H24NOc1125616(1113(12)2)17(19)14(3)18(4)9715(17)81018h56111519H3710H2124H3q+1
ZINC000000403680
ZINC000000403681

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Available files

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