Vitas-M small molecule compound
ethyl (2Z)-5-(4-fluorophenyl)-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
STL173653
SMILES CCOC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)F)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 C31H23F5N2O5S MW 630.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H23F5N2O5S/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
OYSDSBCPQPIMGC-FMCGGJTJSA-NSynonyms
445036-67-9445036679
CCOC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)F)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)F)C(=O)C(=CC4=CC(=C(C=C4)OC)COC5=C(C(=CC(=C5F)F)F)F)S2)C
ethyl(2Z)5(4fluorophenyl)2((4methoxy3((2356tetrafluorophenoxy)methyl)phenyl)methylidene)7methyl3oxo5H(13)thiazolo(32a)pyrimidine6carboxylate
ethyl(2Z)5(4fluorophenyl)2(4methoxy3((2356tetrafluorophenoxy)methyl)benzylidene)7methyl3oxo23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
InChI=1SC31H23F5N2O5Sc144230(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
MFCD02243487
ZINC000008454491
ZINC000008454492
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.