Vitas-M small molecule compound

ethyl (2E)-5-(4-chlorophenyl)-2-{4-methoxy-3-[(2,3,5,6-tetrafluorophenoxy)methyl]benzylidene}-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

Catalog ID
STL175989
SMILES CCOC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)Cl)c(=O)/c(=C\c1ccc(c(c1)COc1c(F)c(F)cc(c1F)F)OC)/s2

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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.

We do not supply quantities above 5 g.

Structure and other identifiers

2D representation rendered from the SMILES, with core physicochemical data.
Formula C31H23ClF4N2O5S MW 647.05 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H23ClF4N2O5S/c1-4-42-30(40)24-15(2)37-31-38(27(24)17-6-8-19(32)9-7-17)29(39)23(44-31)12-16-5-10-22(41-3)18(11-16)14-43-28-25(35)20(33)13-21(34)26(28)36/h5-13,27H,4,14H2,1-3H3/b23-12+
InChIKey
VXZKZUBTVUTMMG-FSJBWODESA-N
Synonyms
512815-51-9
512815519
CCOC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)Cl)c(=O)c(=Cc1ccc(c(c1)COc1c(F)c(F)cc(c1F)F)OC)s2
CCOC(=O)C1=C(N=C2N(C1C3=CC=C(C=C3)Cl)C(=O)C(=CC4=CC(=C(C=C4)OC)COC5=C(C(=CC(=C5F)F)F)F)S2)C
ethyl(2E)5(4chlorophenyl)2((4methoxy3((2356tetrafluorophenoxy)methyl)phenyl)methylidene)7methyl3oxo5H(13)thiazolo(32a)pyrimidine6carboxylate
ethyl(2E)5(4chlorophenyl)2(4methoxy3((2356tetrafluorophenoxy)methyl)benzylidene)7methyl3oxo23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
InChI=1SC31H23ClF4N2O5Sc144230(40)2415(2)373138(27(24)176819(32)9717)29(39)23(4431)121651022(413)18(1116)14432825(35)20(33)1321(34)26(28)36h51327H414H213H3b2312+
MFCD03467143
ZINC000008455148
ZINC000008455149

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Available files

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