Vitas-M small molecule compound
1,3-bis(2-hydroxyethyl)-5-(methoxycarbonyl)-2-methyl-1H-3,1-benzimidazol-3-ium
Catalog ID
STL363159
SMILES OCC[n+]1c(C)n(c2c1cc(cc2)C(=O)OC)CCO
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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 C14H19N2O4 MW 279.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H19N2O4/c1-10-15(5-7-17)12-4-3-11(14(19)20-2)9-13(12)16(10)6-8-18/h3-4,9,17-18H,5-8H2,1-2H3/q+1InChIKey
YRPBYMCFARUIFU-UHFFFAOYSA-NSynonyms
13bis(2hydroxyethyl)5(methoxycarbonyl)2methyl1H31benzimidazol3ium
13bis(2hydroxyethyl)5(methoxycarbonyl)2methyl1Hbenzo(d)imidazol3iumiodide
13BIS(2HYDROXYETHYL)6METHOXYCARBONYL2METHYL3HBENZOIMIDAZOL1IUM
CC1=(N+)(C2=C(N1CCO)C=C(C=C2)C(=O)OC)CCO
InChI=1SC14H19N2O4c11015(5717)124311(14(19)202)913(12)16(10)6818h3491718H58H212H3q+1
METHYL13BIS(2HYDROXYETHYL)2METHYLBENZIMIDAZOL1IUM5CARBOXYLATE
MFCD00602407
OCC(n+)1c(C)n(c2c1cc(cc2)C(=O)OC)CCO
OCC(n+)1c(C)n(c2c1cc(cc2)C(=O)OC)CCO(I)
ZINC000016944632
ZINC16944632
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