Vitas-M small molecule compound

2-[(1E)-3-hydroxybut-1-en-1-yl]-1-methylpyridinium

Catalog ID
STL059148
SMILES CC(/C=C/c1cccc[n+]1C)O

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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 C10H14NO MW 164.23 g/mol Purity >90% as per NMR
InChI
InChI=1S/C10H14NO/c1-9(12)6-7-10-5-3-4-8-11(10)2/h3-9,12H,1-2H3/q+1/b7-6+
InChIKey
RIOHGMTWCGKJAR-VOTSOKGWSA-N
Synonyms

(E)2(3hydroxybut1en1yl)1methylpyridin1iumiodide
(E)4(1METHYL2PYRIDIN1IUMYL)3BUTEN2OLIODIDE
(E)4(1METHYLPYRIDIN1IUM2YL)BUT3EN2OL
(E)4(1METHYLPYRIDIN1IUM2YL)BUT3EN2OLIODIDE
2((1E)3hydroxybut1en1yl)1methylpyridinium
CC(C=CC1=CC=CC=(N+)1C)O
CC(C=Cc1cccc(n+)1C)O
CC(C=Cc1cccc(n+)1C)O(I)
InChI=1SC10H14NOc19(12)6710534811(10)2h3912H12H3q+1b76+
ZINC000000161851
ZINC000000161855

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Available files

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