Vitas-M small molecule compound
2-(1,3-benzothiazol-2-yl)-4-[(E)-(cycloheptylimino)methyl]-5-(trifluoromethyl)-1,2-dihydro-3H-pyrazol-3-one
Catalog ID
STL169398
SMILES O=c1n([nH]c(c1/C=N/C1CCCCCC1)C(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 C19H19F3N4OS MW 408.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H19F3N4OS/c20-19(21,22)16-13(11-23-12-7-3-1-2-4-8-12)17(27)26(25-16)18-24-14-9-5-6-10-15(14)28-18/h5-6,9-12,25H,1-4,7-8H2/b23-11+InChIKey
LOBOVLKSMAMAIN-FOKLQQMPSA-NSynonyms
362494-96-0(E)2(benzo(d)thiazol2yl)4((cycloheptylimino)methyl)5(trifluoromethyl)1Hpyrazol3(2H)one
2(13benzothiazol2yl)4((E)(cycloheptylimino)methyl)5(trifluoromethyl)12dihydro3Hpyrazol3one
362494960
MFCD01417194
O=c1n((nH)c(c1C=NC1CCCCCC1)C(F)(F)F)c1nc2c(s1)cccc2
ZINC000001776001
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