Vitas-M small molecule compound
2-(1,3-benzothiazol-2-yl)-4-{(E)-[(4-methylpiperazin-1-yl)imino]methyl}-5-(trifluoromethyl)-1,2-dihydro-3H-pyrazol-3-one
Catalog ID
STK207182
SMILES CN1CCN(CC1)/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 C17H17F3N6OS MW 410.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H17F3N6OS/c1-24-6-8-25(9-7-24)21-10-11-14(17(18,19)20)23-26(15(11)27)16-22-12-4-2-3-5-13(12)28-16/h2-5,10,23H,6-9H2,1H3/b21-10+InChIKey
ZDIDOUSOYMVBIP-UFFVCSGVSA-NSynonyms
2(13benzothiazol2yl)4((E)((4methylpiperazin1yl)imino)methyl)5(trifluoromethyl)12dihydro3Hpyrazol3one
CN1CCN(CC1)N=Cc1c(=O)n((nH)c1C(F)(F)F)c1nc2c(s1)cccc2
MFCD01942730
ZINC000004741410
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