Vitas-M small molecule compound
1,3-diethyl-4,5,7-trifluoro-2-methyl-6-(trifluoromethyl)-1H-benzimidazol-3-ium
Catalog ID
STL322961
SMILES CCn1c2c([n+](c1C)CC)c(F)c(c(c2F)C(F)(F)F)F
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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 C13H13F6N2 MW 311.25 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H13F6N2/c1-4-20-6(3)21(5-2)12-10(16)8(14)7(13(17,18)19)9(15)11(12)20/h4-5H2,1-3H3/q+1InChIKey
CTLSLJMTFSGWNM-UHFFFAOYSA-NSynonyms
13diethyl457trifluoro2methyl6(trifluoromethyl)1Hbenzimidazol3ium
13diethyl457trifluoro2methyl6(trifluoromethyl)1Hbenzo(d)imidazol3ium4methylbenzenesulfonate
13DIETHYL457TRIFLUORO2METHYL6(TRIFLUOROMETHYL)BENZIMIDAZOL3IUM
13DIETHYL467TRIFLUORO2METHYL5TRIFLUOROMETHYL3HBENZOIMIDAZOL1IUM
Cc1ccc(cc1)S(=O)(=O)(O)CCn1c2c((n+)(c1C)CC)c(F)c(c(c2F)C(F)(F)F)F
CCN1C(=(N+)(C2=C1C(=C(C(=C2F)F)C(F)(F)F)F)CC)C
CCn1c2c((n+)(c1C)CC)c(F)c(c(c2F)C(F)(F)F)F
InChI=1SC13H13F6N2c14206(3)21(52)1210(16)8(14)7(13(1718)19)9(15)11(12)20h45H213H3q+1
MFCD00616939
ZINC000017147742
ZINC17147742
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