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(2E)-5-[4-(difluoromethoxy)phenyl]-3-keto-7-methyl-2-[(1,3,5-trimethylpyrazol-4-yl)methylene]-5H-thiazolo[3,2-a]pyrimidine-6-carboxylic acid ethyl ester
SpectraBase Compound ID LNxcDtEpnPu
InChI InChI=1S/C24H24F2N4O4S/c1-6-33-22(32)19-13(3)27-24-30(20(19)15-7-9-16(10-8-15)34-23(25)26)21(31)18(35-24)11-17-12(2)28-29(5)14(17)4/h7-11,20,23H,6H2,1-5H3/b18-11+
InChIKey NEZUBNILVOBHAO-WOJGMQOQSA-N
Mol Weight 502.54 g/mol
Molecular Formula C24H24F2N4O4S
Exact Mass 502.148633 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KKm9L07p1UP
Name (2E)-5-[4-(difluoromethoxy)phenyl]-3-keto-7-methyl-2-[(1,3,5-trimethylpyrazol-4-yl)methylene]-5H-thiazolo[3,2-a]pyrimidine-6-carboxylic acid ethyl ester
Alternate Name(s) (2E)-5-[4-(difluoromethoxy)phenyl]-7-methyl-3-oxo-2-[(1,3,5-trimethyl-4-pyrazolyl)methylidene]-5H-thiazolo[3,2-a]pyrimidine-6-carboxylic acid ethyl ester Ethyl (2E)-5-[4-(difluoromethoxy)phenyl]-7-methyl-3-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)methylene]-5H-thiazolo[3,2-a]pyrimidine-6-carboxylate Ethyl (2E)-5-[4-(difluoromethoxy)phenyl]-7-methyl-3-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)methylidene]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate Ethyl (2E)-5-[4-[bis(fluoranyl)methoxy]phenyl]-7-methyl-3-oxidanylidene-2-[(1,3,5-trimethylpyrazol-4-yl)methylidene]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
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Formula C24H24F2N4O4S
InChI InChI=1S/C24H24F2N4O4S/c1-6-33-22(32)19-13(3)27-24-30(20(19)15-7-9-16(10-8-15)34-23(25)26)21(31)18(35-24)11-17-12(2)28-29(5)14(17)4/h7-11,20,23H,6H2,1-5H3/b18-11+
InChIKey NEZUBNILVOBHAO-WOJGMQOQSA-N
Molecular Weight 502.537 g/mol
SMILES C[n]1c(c(\C=C/2C(N3C(=NC(=C(C3c3ccc(cc3)OC(F)F)C(=O)OCC)C)S2)=O)c(C)n1)C
SPLASH splash10-066r-7901000000-c34671dfd7a98876f652
Wiley ID 1445471