Vitas-M small molecule compound
3-[2-(acetyloxy)ethyl]-1-(2-hydroxyethyl)-5-(methoxycarbonyl)-2-methyl-1H-3,1-benzimidazol-3-ium
Catalog ID
STK396340
SMILES OCCn1c(C)[n+](c2c1ccc(c2)C(=O)OC)CCOC(=O)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 C16H21N2O5 MW 321.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H21N2O5/c1-11-17(6-8-19)14-5-4-13(16(21)22-3)10-15(14)18(11)7-9-23-12(2)20/h4-5,10,19H,6-9H2,1-3H3/q+1InChIKey
BBHDXHHBXPQCBX-UHFFFAOYSA-NSynonyms
2(1(2HYDROXYETHYL)5(METHOXYCARBONYL)2METHYLBENZIMIDAZOL3YL)ETHYLACETATE
3(2(acetyloxy)ethyl)1(2hydroxyethyl)5(methoxycarbonyl)2methyl1H31benzimidazol3ium
3(2acetoxyethyl)1(2hydroxyethyl)5(methoxycarbonyl)2methyl1Hbenzo(d)imidazol3iumiodide
CC1=(N+)(C2=C(N1CCOC(=O)C)C=C(C=C2)C(=O)OC)CCO
InChI=1SC16H21N2O5c11117(6819)145413(16(21)223)1015(14)18(11)792312(2)20h451019H69H213H3q+1
METHYL3(2ACETYLOXYETHYL)1(2HYDROXYETHYL)2METHYLBENZIMIDAZOL1IUM5CARBOXYLATE
MFCD00602405
OCCn1c(C)(n+)(c2c1ccc(c2)C(=O)OC)CCOC(=O)C
OCCn1c(C)(n+)(c2c1ccc(c2)C(=O)OC)CCOC(=O)C(I)
ZINC000017160388
ZINC17160388
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