Vitas-M small molecule compound
4-[2-carboxy-1-(3-hydroxy-1,4,5-trimethyl-1H-imidazol-3-ium-2-yl)ethyl]pyridinium
Catalog ID
STL553491
SMILES OC(=O)CC(c1[n+](O)c(c(n1C)C)C)c1cc[nH+]cc1
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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 C14H19N3O3 MW 277.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H17N3O3/c1-9-10(2)17(20)14(16(9)3)12(8-13(18)19)11-4-6-15-7-5-11/h4-7,12H,8H2,1-3H3,(H-,18,19,20)/p+2InChIKey
DUJKWLOQUWSETI-UHFFFAOYSA-PSynonyms
135640914
3(1hydroxy345trimethylimidazol3ium2yl)3pyridin1ium4ylpropanoicacid
4(2carboxy1(3hydroxy145trimethyl1Himidazol3ium2yl)ethyl)pyridin1iumchloride
4(2carboxy1(3hydroxy145trimethyl1Himidazol3ium2yl)ethyl)pyridinium
InChI=1SC14H17N3O3c1910(2)17(20)14(16(9)3)12(813(18)19)1146157511h4712H8H213H3(H181920)p+2
OC(=O)CC(c1(n+)(O)c(c(n1C)C)C)c1cc(nH+)cc1(Cl)(Cl)
ZINC000604404179
ZINC000604404183
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