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ethyl (2E)-5-[4-(dimethylamino)phenyl]-7-methyl-3-oxo-2-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methylene]-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
SpectraBase Compound ID 9RMOlIQJD4V
InChI InChI=1S/C25H29N5O3S/c1-8-33-24(32)21-15(3)26-25-30(22(21)17-9-11-18(12-10-17)28(5)6)23(31)20(34-25)13-19-14(2)27-29(7)16(19)4/h9-13,22H,8H2,1-7H3/b20-13+
InChIKey XMOQZMYDYWTCTR-DEDYPNTBSA-N
Mol Weight 479.6 g/mol
Molecular Formula C25H29N5O3S
Exact Mass 479.199111 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 877t6s9lTPs
Name Ethyl (2E)-5-[4-(dimethylamino)phenyl]-7-methyl-3-oxo-2-[(1,3,5-trimethyl-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 479.199110985 u
Formula C25H29N5O3S
InChI InChI=1S/C25H29N5O3S/c1-8-33-24(32)21-15(3)26-25-30(22(21)17-9-11-18(12-10-17)28(5)6)23(31)20(34-25)13-19-14(2)27-29(7)16(19)4/h9-13,22H,8H2,1-7H3/b20-13+
InChIKey XMOQZMYDYWTCTR-DEDYPNTBSA-N
Molecular Weight 479.599 g/mol
SMILES CCOC(C=1C(N2C(=NC1C)S\C(C2=O)=C/C1=C(N(C)N=C1C)C)C1=CC=C(C=C1)N(C)C)=O