Vitas-M small molecule compound
1,3-diethyl-5,6-bis(methoxycarbonyl)-2-methyl-1H-3,1-benzimidazol-3-ium
Catalog ID
STL363163
SMILES COC(=O)c1cc2[n+](CC)c(n(c2cc1C(=O)OC)CC)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 C16H21N2O4 MW 305.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H21N2O4/c1-6-17-10(3)18(7-2)14-9-12(16(20)22-5)11(8-13(14)17)15(19)21-4/h8-9H,6-7H2,1-5H3/q+1InChIKey
GECMVLMCWVSMAZ-UHFFFAOYSA-NSynonyms
13diethyl56bis(methoxycarbonyl)2methyl1H31benzimidazol3ium
CCN1C(=(N+)(C2=C1C=C(C(=C2)C(=O)OC)C(=O)OC)CC)C
COC(=O)c1cc2(n+)(CC)c(n(c2cc1C(=O)OC)CC)C
DIMETHYL13DIETHYL2METHYLBENZIMIDAZOL3IUM56DICARBOXYLATE
InChI=1SC16H21N2O4c161710(3)18(72)14912(16(20)225)11(813(14)17)15(19)214h89H67H215H3q+1
MFCD00602420
ZINC000000499609
ZINC00499609
ZINC499609
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