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(2R,3R)-2-(2,4-difluorophenyl)-3-(4-(6-(methyl(2-(thiophen-2-yl)ethyl)amino)pyridin-2-yl)piperazin-1-yl)-1-(1H-1,2,4-triazol-1-yl)butan-2-ol

View entire compound with spectra: 2 MS (GC)

(2R,3R)-2-(2,4-difluorophenyl)-3-(4-(6-(methyl(2-(thiophen-2-yl)ethyl)amino)pyridin-2-yl)piperazin-1-yl)-1-(1H-1,2,4-triazol-1-yl)butan-2-ol
SpectraBase Compound ID I5txaa0V8Rt
InChI InChI=1S/C28H33F2N7OS/c1-21(28(38,18-37-20-31-19-32-37)24-9-8-22(29)17-25(24)30)35-12-14-36(15-13-35)27-7-3-6-26(33-27)34(2)11-10-23-5-4-16-39-23/h3-9,16-17,19-21,38H,10-15,18H2,1-2H3/t21-,28-/m1/s1
InChIKey XBMVDAIRSHYALG-LYZGTLIUSA-N
Mol Weight 553.7 g/mol
Molecular Formula C28H33F2N7OS
Exact Mass 553.243536 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5yp1EmqioSJ
Name (2R,3R)-2-(2,4-difluorophenyl)-3-(4-(6-(methyl(2-(thiophen-2-yl)ethyl)amino)pyridin-2-yl)piperazin-1-yl)-1-(1H-1,2,4-triazol-1-yl)butan-2-ol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H33F2N7OS
InChI InChI=1S/C28H33F2N7OS/c1-21(28(38,18-37-20-31-19-32-37)24-9-8-22(29)17-25(24)30)35-12-14-36(15-13-35)27-7-3-6-26(33-27)34(2)11-10-23-5-4-16-39-23/h3-9,16-17,19-21,38H,10-15,18H2,1-2H3/t21-,28-/m1/s1
InChIKey XBMVDAIRSHYALG-LYZGTLIUSA-N
Ionization Type EI
Molecular Weight 553.677 g/mol
SMILES O[C@](C[n]1ncnc1)([C@@](C)(N1CCN(CC1)c1cccc(n1)N(CCc1sccc1)C)[H])c1ccc(cc1F)F
SPLASH splash10-004i-0009000000-93e8b7d83d691dce385e
Source of Spectrum US20100144712A1
Wiley ID 1842371