Vitas-M small molecule compound
2-(1,3-benzothiazol-2-yl)-4-{(1E)-N-[1-(tricyclo[3.3.1.1~3,7~]dec-2-yl)ethyl]ethanimidoyl}-5-(trifluoromethyl)-1,2-dihydro-3H-pyrazol-3-one
Catalog ID
STL446113
SMILES CC(C1C2CC3CC1CC(C2)C3)/N=C(/c1c(=O)n([nH]c1C(F)(F)F)c1nc2c(s1)cccc2)\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 C25H27F3N4OS MW 488.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H27F3N4OS/c1-12(20-16-8-14-7-15(10-16)11-17(20)9-14)29-13(2)21-22(25(26,27)28)31-32(23(21)33)24-30-18-5-3-4-6-19(18)34-24/h3-6,12,14-17,20,31H,7-11H2,1-2H3/b29-13+InChIKey
CTFWGCMFFHJCJJ-VFLNYLIXSA-NSynonyms
2(13benzothiazol2yl)4((1E)N(1(tricyclo(3311~37~)dec2yl)ethyl)ethanimidoyl)5(trifluoromethyl)12dihydro3Hpyrazol3one
CC(C1C2CC3CC1CC(C2)C3)N=C(c1c(=O)n((nH)c1C(F)(F)F)c1nc2c(s1)cccc2)C
ZINC000004641146
ZINC000004641147
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