Vitas-M small molecule compound

1,3-diethyl-2-methyl-5-[(trifluoromethyl)sulfonyl]-1H-3,1-benzimidazol-3-ium

Catalog ID
STK396420
SMILES CCn1c(C)[n+](c2c1ccc(c2)S(=O)(=O)C(F)(F)F)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 C13H16F3N2O2S MW 321.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H16F3N2O2S/c1-4-17-9(3)18(5-2)12-8-10(6-7-11(12)17)21(19,20)13(14,15)16/h6-8H,4-5H2,1-3H3/q+1
InChIKey
SPCZLBSWEQQCDW-UHFFFAOYSA-N
Synonyms

13DIETHYL2METHYL5((TRIFLUOROMETHYL)SULFONYL)1H31BENZIMIDAZOL3IUM
13diethyl2methyl5((trifluoromethyl)sulfonyl)1Hbenzo(d)imidazol3ium4methylbenzenesulfonate
13DIETHYL2METHYL5(TRIFLUOROMETHYLSULFONYL)BENZIMIDAZOL1IUM
13DIETHYL2METHYL6TRIFLUOROMETHANESULFONYL3HBENZOIMIDAZOL1IUM
Cc1ccc(cc1)S(=O)(=O)(O)CCn1c(C)(n+)(c2c1ccc(c2)S(=O)(=O)C(F)(F)F)CC
CCN1C(=(N+)(C2=C1C=C(C=C2)S(=O)(=O)C(F)(F)F)CC)C
CCn1c(C)(n+)(c2c1ccc(c2)S(=O)(=O)C(F)(F)F)CC
InChI=1SC13H16F3N2O2Sc14179(3)18(52)12810(6711(12)17)21(1920)13(1415)16h68H45H213H3q+1
MFCD00611083
ZINC000000048056
ZINC00048056
ZINC48056

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Available files

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