Vitas-M small molecule compound
3-ethyl-5-(methoxycarbonyl)-2-methyl-1-phenyl-1H-3,1-benzimidazol-3-ium
Catalog ID
STK396339
SMILES COC(=O)c1ccc2c(c1)[n+](CC)c(n2c1ccccc1)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 C18H19N2O2 MW 295.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H19N2O2/c1-4-19-13(2)20(15-8-6-5-7-9-15)16-11-10-14(12-17(16)19)18(21)22-3/h5-12H,4H2,1-3H3/q+1InChIKey
JWEONZNNYNXFKG-UHFFFAOYSA-NSynonyms
1ETHYL6METHOXYCARBONYL2METHYL3PHENYL3HBENZOIMIDAZOL1IUM
3ethyl5(methoxycarbonyl)2methyl1phenyl1H31benzimidazol3ium
CC(N+)1=C(N(C2=C1C=C(C=C2)C(=O)OC)C3=CC=CC=C3)C
COC(=O)c1ccc2c(c1)(n+)(CC)c(n2c1ccccc1)C
InChI=1SC18H19N2O2c141913(2)20(158657915)16111014(1217(16)19)18(21)223h512H4H213H3q+1
METHYL3ETHYL2METHYL1PHENYLBENZIMIDAZOL3IUM5CARBOXYLATE
MFCD00602403
ZINC000000357765
ZINC00357765
ZINC357765
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