Vitas-M small molecule compound
2-(1,3-benzothiazol-2-yl)-4-[(E)-(nonylimino)methyl]-5-(trifluoromethyl)-1,2-dihydro-3H-pyrazol-3-one
Catalog ID
STK741742
SMILES CCCCCCCCC/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 C21H25F3N4OS MW 438.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H25F3N4OS/c1-2-3-4-5-6-7-10-13-25-14-15-18(21(22,23)24)27-28(19(15)29)20-26-16-11-8-9-12-17(16)30-20/h8-9,11-12,14,27H,2-7,10,13H2,1H3/b25-14+InChIKey
JSAPFWVGNMTSIW-AFUMVMLFSA-NSynonyms
371948-21-9(E)2(benzo(d)thiazol2yl)4((nonylimino)methyl)5(trifluoromethyl)1Hpyrazol3(2H)one
2(13benzothiazol2yl)4((E)(nonylimino)methyl)5(trifluoromethyl)12dihydro3Hpyrazol3one
371948219
CCCCCCCCCN=Cc1c(=O)n((nH)c1C(F)(F)F)c1nc2c(s1)cccc2
MFCD01811031
ZINC000002268709
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