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

*Links on SpectraBase are not permalinks.

ethyl (2E)-5-(4-chlorophenyl)-7-methyl-3-oxo-2-[(3-phenyl-1H-pyrazol-4-yl)methylene]-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

View entire compound with spectra: 2 NMR

ethyl (2E)-5-(4-chlorophenyl)-7-methyl-3-oxo-2-[(3-phenyl-1H-pyrazol-4-yl)methylene]-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
SpectraBase Compound ID 7OREngVXORk
InChI InChI=1S/C26H21ClN4O3S/c1-3-34-25(33)21-15(2)29-26-31(23(21)17-9-11-19(27)12-10-17)24(32)20(35-26)13-18-14-28-30-22(18)16-7-5-4-6-8-16/h4-14,23H,3H2,1-2H3,(H,28,30)/b20-13+
InChIKey SUKFWAXOMXHPFT-DEDYPNTBSA-N
Mol Weight 504.99 g/mol
Molecular Formula C26H21ClN4O3S
Exact Mass 504.102289 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

Subscribe to view the full spectrum.

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

SpectraBase Spectrum ID DDKj3fkps4h
Name Ethyl (2E)-5-(4-chlorophenyl)-7-methyl-3-oxo-2-[(3-phenyl-1H-pyrazol-4-yl)methylene]-2,3-dihydro-5H-[1,3]thiazolo[3,2-A]pyrimidine-6-carboxylate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 504.102289423 u
Formula C26H21ClN4O3S
InChI InChI=1S/C26H21ClN4O3S/c1-3-34-25(33)21-15(2)29-26-31(23(21)17-9-11-19(27)12-10-17)24(32)20(35-26)13-18-14-28-30-22(18)16-7-5-4-6-8-16/h4-14,23H,3H2,1-2H3,(H,28,30)/b20-13+
InChIKey SUKFWAXOMXHPFT-DEDYPNTBSA-N
Molecular Weight 504.992 g/mol
SMILES N1N=C(C(=C1)\C=C/1C(N2C(=NC(=C(C2C2=CC=C(C=C2)Cl)C(=O)OCC)C)S1)=O)C=1C=CC=CC1