Vitas-M small molecule compound
1,3-diethyl-5-methoxy-2-methyl-1H-3,1-benzimidazol-3-ium
Catalog ID
STK396245
SMILES COc1ccc2c(c1)[n+](CC)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 C13H19N2O MW 219.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H19N2O/c1-5-14-10(3)15(6-2)13-9-11(16-4)7-8-12(13)14/h7-9H,5-6H2,1-4H3/q+1InChIKey
XEKMCSSXWMRIFA-UHFFFAOYSA-NSynonyms
13diethyl5methoxy2methyl1H31benzimidazol3ium
13DIETHYL5METHOXY2METHYLBENZIMIDAZOL1IUM
13DIETHYL6METHOXY2METHYL1HBENZIMIDAZOL3IUM
CCN1C(=(N+)(C2=C1C=C(C=C2)OC)CC)C
COc1ccc2c(c1)(n+)(CC)c(n2CC)C
InChI=1SC13H19N2Oc151410(3)15(62)13911(164)7812(13)14h79H56H214H3q+1
MFCD00602737
ZINC000004045182
ZINC04045182
ZINC4045182
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