Vitas-M small molecule compound

1-ethyl-5,6-bis(methoxycarbonyl)-2-methyl-3-octyl-1H-3,1-benzimidazol-3-ium

Catalog ID
STL363162
SMILES CCCCCCCC[n+]1c(C)n(c2c1cc(C(=O)OC)c(c2)C(=O)OC)CC

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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 C22H33N2O4 MW 389.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H33N2O4/c1-6-8-9-10-11-12-13-24-16(3)23(7-2)19-14-17(21(25)27-4)18(15-20(19)24)22(26)28-5/h14-15H,6-13H2,1-5H3/q+1
InChIKey
RTULNVBZANXCIG-UHFFFAOYSA-N
Synonyms

1ethyl56bis(methoxycarbonyl)2methyl3octyl1H31benzimidazol3ium
1ethyl56bis(methoxycarbonyl)2methyl3octyl1Hbenzo(d)imidazol3iumiodide
3ETHYL56BISMETHOXYCARBONYL2METHYL1OCTYL3HBENZOIMIDAZOL1IUM
CCCCCCCC(N+)1=C(N(C2=C1C=C(C(=C2)C(=O)OC)C(=O)OC)CC)C
CCCCCCCC(n+)1c(C)n(c2c1cc(C(=O)OC)c(c2)C(=O)OC)CC
CCCCCCCC(n+)1c(C)n(c2c1cc(C(=O)OC)c(c2)C(=O)OC)CC(I)
DIMETHYL1ETHYL2METHYL3OCTYLBENZIMIDAZOL3IUM56DICARBOXYLATE
InChI=1SC22H33N2O4c1689101112132416(3)23(72)191417(21(25)274)18(1520(19)24)22(26)285h1415H613H215H3q+1
METHYL1ETHYL6(METHOXYCARBONYL)2METHYL3OCTYLBENZIMIDAZOLE5CARBOXYLATE
MFCD00602418
ZINC000097990124
ZINC97990124

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Available files

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