Vitas-M small molecule compound
3-[(1Z,3Z)-4-carboxy-3-methylbuta-1,3-dien-1-yl]-1-methylpyridinium
Catalog ID
STL059232
SMILES OC(=O)/C=C(\C=C/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 C12H14NO2 MW 204.25 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H13NO2/c1-10(8-12(14)15)5-6-11-4-3-7-13(2)9-11/h3-9H,1-2H3/p+1/b6-5-,10-8-InChIKey
KXUJBQMNBUREKG-XUTLIFGGSA-OSynonyms
(2Z4Z)3METHYL5(1METHYLPYRIDIN1IUM3YL)PENTA24DIENOICACID
3((1Z3Z)4carboxy3methylbuta13dien1yl)1methylpyridin1iumiodide
3((1Z3Z)4carboxy3methylbuta13dien1yl)1methylpyridinium
CC(=CC(=O)O)C=CC1=C(N+)(=CC=C1)C
InChI=1SC12H13NO2c110(812(14)15)561143713(2)911h39H12H3p+1b65108
OC(=O)C=C(C=Cc1ccc(n+)(c1)C)C
OC(=O)C=C(C=Cc1ccc(n+)(c1)C)C(I)
ZINC000012437313
ZINC12437313
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