| SpectraBase Spectrum ID |
7HhIaW6IcZA |
| Name |
(2R,3R)-3-(4-(6-nitrobenzothiazol-2-yl)piperazin-1-yl)-2-(2,4-difluorophenyl)-1-(1H-1,2,4-triazol-1-yl)butan-2-ol |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C23H23F2N7O3S |
| InChI |
InChI=1S/C23H23F2N7O3S/c1-15(23(33,12-31-14-26-13-27-31)18-4-2-16(24)10-19(18)25)29-6-8-30(9-7-29)22-28-20-5-3-17(32(34)35)11-21(20)36-22/h2-5,10-11,13-15,33H,6-9,12H2,1H3/t15-,23-/m1/s1 |
| InChIKey |
QSYGQEZRDZDMIF-IQMFZBJNSA-N |
| Ionization Type |
EI |
| Molecular Weight |
515.540 g/mol |
| SMILES |
O[C@](C[n]1ncnc1)([C@@](C)(N1CCN(CC1)c1sc2c(n1)ccc(c2)[N+](=O)[O-])[H])c1ccc(cc1F)F |
| SPLASH |
splash10-0006-0190000000-e75c9c64614eb0e46e5e |
| Source of Spectrum |
US20100144712A1 |
| Wiley ID |
1842360 |
