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1-Acetyl-5-(4-chloro-2-morpholinothiazol-5-yl)-3-(3,4,5-trimethoxylphenyl)-4,5-dihydro-1H-pyrazole
SpectraBase Compound ID ID0acBBTnyi
InChI InChI=1S/C21H25ClN4O5S/c1-12(27)26-15(19-20(22)23-21(32-19)25-5-7-31-8-6-25)11-14(24-26)13-9-16(28-2)18(30-4)17(10-13)29-3/h9-10,15H,5-8,11H2,1-4H3
InChIKey UCVCBEKUXRRRDQ-UHFFFAOYSA-N
Mol Weight 480.97 g/mol
Molecular Formula C21H25ClN4O5S
Exact Mass 480.123419 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6WHXjdJ5qTg
Name 1-Acetyl-5-(4-chloro-2-morpholinothiazol-5-yl)-3-(3,4,5-trimethoxylphenyl)-4,5-dihydro-1H-pyrazole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H25ClN4O5S
InChI InChI=1S/C21H25ClN4O5S/c1-12(27)26-15(19-20(22)23-21(32-19)25-5-7-31-8-6-25)11-14(24-26)13-9-16(28-2)18(30-4)17(10-13)29-3/h9-10,15H,5-8,11H2,1-4H3
InChIKey UCVCBEKUXRRRDQ-UHFFFAOYSA-N
Literature Reference DOI 10.1002/ardp.201400084
Molecular Weight 480.967 g/mol
SMILES c1(cc(cc(c1OC)OC)C1=NN(C(=O)C)C(c2c(nc(N3CCOCC3)s2)Cl)C1)OC
SPLASH splash10-053r-0790800000-717401e6796f86857461
Source of Spectrum APC-347-573-7f
Synonyms 1-(5-(4-chloro-2-morpholinothiazol-5-yl)-3-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl)ethanone
Wiley ID 1769592