Vitas-M small molecule compound
2-(1,3-benzothiazol-2-yl)-4-{(E)-[(4-chlorobenzyl)imino]methyl}-5-(trifluoromethyl)-1,2-dihydro-3H-pyrazol-3-one
Catalog ID
STL169403
SMILES Clc1ccc(cc1)C/N=C/c1c(=O)n([nH]c1C(F)(F)F)c1nc2c(s1)cccc2
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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 C19H12ClF3N4OS MW 436.84 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H12ClF3N4OS/c20-12-7-5-11(6-8-12)9-24-10-13-16(19(21,22)23)26-27(17(13)28)18-25-14-3-1-2-4-15(14)29-18/h1-8,10,26H,9H2/b24-10+InChIKey
BABRVIJCSMJRKH-YSURURNPSA-NSynonyms
354543-57-0(E)2(benzo(d)thiazol2yl)4(((4chlorobenzyl)imino)methyl)5(trifluoromethyl)1Hpyrazol3(2H)one
2(13benzothiazol2yl)4((E)((4chlorobenzyl)imino)methyl)5(trifluoromethyl)12dihydro3Hpyrazol3one
354543570
Clc1ccc(cc1)CN=Cc1c(=O)n((nH)c1C(F)(F)F)c1nc2c(s1)cccc2
MFCD01417584
ZINC000100699581
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