Vitas-M small molecule compound
1-(1,3-benzothiazol-2-yl)-4-[(1E)-N-(4-methylpiperazin-1-yl)ethanimidoyl]-3-(trifluoromethyl)-1H-pyrazol-5-ol
Catalog ID
STK563695
SMILES CN1CCN(CC1)/N=C(/c1c(O)n(nc1C(F)(F)F)c1nc2c(s1)cccc2)\C
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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 C18H19F3N6OS MW 424.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H19F3N6OS/c1-11(23-26-9-7-25(2)8-10-26)14-15(18(19,20)21)24-27(16(14)28)17-22-12-5-3-4-6-13(12)29-17/h3-6,28H,7-10H2,1-2H3/b23-11+InChIKey
CASYXUZORWMMAM-FOKLQQMPSA-NSynonyms
1(13benzothiazol2yl)4((1E)N(4methylpiperazin1yl)ethanimidoyl)3(trifluoromethyl)1Hpyrazol5ol
2(13benzothiazol2yl)4((E)CmethylN(4methylpiperazin4ium1yl)carbonimidoyl)5(trifluoromethyl)pyrazol3olate
CC(=NN1CC(NH+)(CC1)C)C2=C(N(N=C2C(F)(F)F)C3=NC4=CC=CC=C4S3)(O)
CN1CCN(CC1)N=C(c1c(O)n(nc1C(F)(F)F)c1nc2c(s1)cccc2)C
InChI=1SC18H19F3N6OSc111(23269725(2)81026)1415(18(1920)21)2427(16(14)28)172212534613(12)2917h3628H710H212H3b2311+
MFCD03815497
ZINC000017179641
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