| SpectraBase Spectrum ID |
BALYcagcsbW |
| Name |
1-(5-{2-[Bis(2-chloroethyl)amino]-4-chlorothiazol-5-yl}-3-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl)ethan-1-one |
| Appearance |
Pale yellow solid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H25Cl3N4O4S |
| InChI |
InChI=1S/C21H25Cl3N4O4S/c1-12(29)28-15(19-20(24)25-21(33-19)27(7-5-22)8-6-23)11-14(26-28)13-9-16(30-2)18(32-4)17(10-13)31-3/h9-10,15H,5-8,11H2,1-4H3 |
| InChIKey |
IHZZNPZKSOWTMJ-UHFFFAOYSA-N |
| Instrument Name |
Shimadzu-GCMS-QP2010 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/ardp.201900351 |
| Molecular Weight |
535.874 g/mol |
| SMILES |
C(C)(=O)N1N=C(CC1c1c(nc(s1)N(CCCl)CCCl)Cl)c1cc(c(c(c1)OC)OC)OC |
| SPLASH |
splash10-0pbj-0206390000-24089f32feb14da12897 |
| Source of Spectrum |
APC-353-15-6f |
| Wiley ID |
1839658 |
![1-(5-{2-[Bis(2-chloroethyl)amino]-4-chlorothiazol-5-yl}-3-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl)ethan-1-one](/api/spectrum/BALYcagcsbW/structure.png?h=300&w=458 "1-(5-{2-[Bis(2-chloroethyl)amino]-4-chlorothiazol-5-yl}-3-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl)ethan-1-one")
