Vitas-M small molecule compound
2-(1,3-benzothiazol-2-yl)-4-{(E)-[(3-hydroxypropyl)imino]methyl}-5-(trifluoromethyl)-1,2-dihydro-3H-pyrazol-3-one
Catalog ID
STK741720
SMILES OCCC/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 C15H13F3N4O2S MW 370.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H13F3N4O2S/c16-15(17,18)12-9(8-19-6-3-7-23)13(24)22(21-12)14-20-10-4-1-2-5-11(10)25-14/h1-2,4-5,8,21,23H,3,6-7H2/b19-8+InChIKey
GJGACWWDMWMSPS-UFWORHAWSA-NSynonyms
371946-31-5(E)2(benzo(d)thiazol2yl)4(((3hydroxypropyl)imino)methyl)5(trifluoromethyl)1Hpyrazol3(2H)one
2(13benzothiazol2yl)4((E)((3hydroxypropyl)imino)methyl)5(trifluoromethyl)12dihydro3Hpyrazol3one
371946315
MFCD01810985
OCCCN=Cc1c(=O)n((nH)c1C(F)(F)F)c1nc2c(s1)cccc2
ZINC000004476852
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