Analyte Name

Lotilaner

CAS Number

1369852-71-0

Molecular Formula

C20 H14 Cl3 F6 N3 O3 S

Molecular Weight

596.76

Accurate Mass

594.9726

SMILES

Cc1cc(sc1C(=O)NCC(=O)NCC(F)(F)F)C2=NO[C@@](C2)(c3cc(Cl)c(Cl)c(Cl)c3)C(F)(F)F

InChI

InChI=1S/C20H14Cl3F6N3O3S/c1-8-2-13(36-16(8)17(34)30-6-14(33)31-7-19(24,25)26)12-5-18(35-32-12,20(27,28)29)9-3-10(21)15(23)11(22)4-9/h2-4H,5-7H2,1H3,(H,30,34)(H,31,33)/t18-/m0/s1

IUPAC

3-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-5-[(5S)-5-(3,4,5-trichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]thiophene-2-carboxamide

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Contaminant

Product Format

Neat