Vitas-M small molecule compound
1,3-diethyl-6-fluoro-2-methyl-1H-3,1-benzimidazol-3-ium 4-methylbenzenesulfonate
Catalog ID
STK067045
SMILES Cc1ccc(cc1)S(=O)(=O)[O-].CCn1c2cc(F)ccc2[n+](c1C)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 C19H23FN2O3S MW 378.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H16FN2.C7H8O3S/c1-4-14-9(3)15(5-2)12-8-10(13)6-7-11(12)14;1-6-2-4-7(5-3-6)11(8,9)10/h6-8H,4-5H2,1-3H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1InChIKey
HCEGPLMNANQSOA-UHFFFAOYSA-MSynonyms
13DIETHYL5FLUORO2METHYLBENZIMIDAZOL1IUM4METHYLBENZENESULFONATE
13DIETHYL6FLUORO2METHYL1H31BENZIMIDAZOL3IUM4METHYLBENZENESULFONATE
Cc1ccc(cc1)S(=O)(=O)(O)CCn1c2cc(F)ccc2(n+)(c1C)CC
CCN1C(=(N+)(C2=C1C=C(C=C2)F)CC)CCC1=CC=C(C=C1)S(=O)(=O)(O)
InChI=1SC12H16FN2C7H8O3Sc14149(3)15(52)12810(13)6711(12)1416247(536)11(89)10h68H45H213H325H1H3(H8910)q+1p1
MFCD02917007
STK067045
ZINC000000094426
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