Vitas-M small molecule compound
5-(ethoxycarbonyl)-1-ethyl-3-(2-hydroxyethyl)-2-methyl-1H-3,1-benzimidazol-3-ium
Catalog ID
STK396341
SMILES CCOC(=O)c1ccc2c(c1)[n+](CCO)c(n2CC)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 C15H21N2O3 MW 277.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H21N2O3/c1-4-16-11(3)17(8-9-18)14-10-12(6-7-13(14)16)15(19)20-5-2/h6-7,10,18H,4-5,8-9H2,1-3H3/q+1InChIKey
XFPRFLNSKPNNLS-UHFFFAOYSA-NSynonyms
1ETHYL3(2HYDROXYETHYL)2METHYL5BENZIMIDAZOL1IUMCARBOXYLICACIDETHYLESTERIODIDE
1ETHYL3(2HYDROXYETHYL)2METHYLBENZIMIDAZOL1IUM5CARBOXYLICACIDETHYLESTERIODIDE
5(ethoxycarbonyl)1ethyl3(2hydroxyethyl)2methyl1H31benzimidazol3ium
6ETHOXYCARBONYL3ETHYL1(2HYDROXYETHYL)2METHYL3HBENZOIMIDAZOL1IUM
CC(N+)1=C(N(C2=C1C=CC(=C2)C(=O)OCC)CCO)C
CCOC(=O)c1ccc2c(c1)(n+)(CCO)c(n2CC)C
ETHYL1ETHYL3(2HYDROXYETHYL)2METHYLBENZIMIDAZOL1IUM5CARBOXYLATE
ETHYL1ETHYL3(2HYDROXYETHYL)2METHYLBENZIMIDAZOL1IUM5CARBOXYLATEIODIDE
ETHYL1ETHYL3(2HYDROXYETHYL)2METHYLBENZIMIDAZOLE5CARBOXYLATE
InChI=1SC15H21N2O3c141611(3)17(8918)141012(6713(14)16)15(19)2052h671018H4589H213H3q+1
MFCD00602410
ZINC000013116408
ZINC13116408
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