For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
5-[[2-[2-[(4,6-dimethyl-2-pyrimidinyl)thio]-1-oxoethoxy]-1-oxoethyl]amino]-1-phenyl-4-pyrazolecarboxylic acid ethyl ester
SpectraBase Compound ID KghDAto7rtQ
InChI InChI=1S/C22H23N5O5S/c1-4-31-21(30)17-11-23-27(16-8-6-5-7-9-16)20(17)26-18(28)12-32-19(29)13-33-22-24-14(2)10-15(3)25-22/h5-11H,4,12-13H2,1-3H3,(H,26,28)
InChIKey ZFPBYCOFVGERTP-UHFFFAOYSA-N
Mol Weight 469.52 g/mol
Molecular Formula C22H23N5O5S
Exact Mass 469.14199 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID A70K6Y7yMDR
Name 5-[[2-[2-[(4,6-dimethyl-2-pyrimidinyl)thio]-1-oxoethoxy]-1-oxoethyl]amino]-1-phenyl-4-pyrazolecarboxylic acid ethyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H23N5O5S
InChI InChI=1S/C22H23N5O5S/c1-4-31-21(30)17-11-23-27(16-8-6-5-7-9-16)20(17)26-18(28)12-32-19(29)13-33-22-24-14(2)10-15(3)25-22/h5-11H,4,12-13H2,1-3H3,(H,26,28)
InChIKey ZFPBYCOFVGERTP-UHFFFAOYSA-N
Molecular Weight 469.516 g/mol
SMILES N(c1c(cn[n]1-c1ccccc1)C(=O)OCC)C(=O)COC(=O)CSc1nc(C)cc(n1)C
SPLASH splash10-0hh9-3950300000-dbb11015688f79bae4d9
Synonyms 5-[[2-[2-[(4,6-dimethylpyrimidin-2-yl)thio]acetyl]oxyacetyl]amino]-1-phenyl-pyrazole-4-carboxylic acid ethyl ester Ethyl 5-[2-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanoyloxy]ethanoylamino]-1-phenyl-pyrazole-4-carboxylate Ethyl 5-[[2-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]oxyacetyl]amino]-1-phenyl-pyrazole-4-carboxylate
Wiley ID 1446488