Vitas-M small molecule compound
prop-2-en-1-yl (2E)-2-(2-fluorobenzylidene)-5-{4-[(furan-2-ylcarbonyl)oxy]phenyl}-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK702586
SMILES C=CCOC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)OC(=O)c1ccco1)c(=O)/c(=C\c1ccccc1F)/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 C29H21FN2O6S MW 544.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H21FN2O6S/c1-3-14-37-28(35)24-17(2)31-29-32(26(33)23(39-29)16-19-7-4-5-8-21(19)30)25(24)18-10-12-20(13-11-18)38-27(34)22-9-6-15-36-22/h3-13,15-16,25H,1,14H2,2H3/b23-16+InChIKey
QXRACSWPSJGWRD-XQNSMLJCSA-NSynonyms
(E)allyl2(2fluorobenzylidene)5(4((furan2carbonyl)oxy)phenyl)7methyl3oxo35dihydro2Hthiazolo(32a)pyrimidine6carboxylate
C=CCOC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)OC(=O)c1ccco1)c(=O)c(=Cc1ccccc1F)s2
CC1=C(C(N2C(=O)C(=CC3=CC=CC=C3F)SC2=N1)C4=CC=C(C=C4)OC(=O)C5=CC=CO5)C(=O)OCC=C
InChI=1SC29H21FN2O6Sc13143728(35)2417(2)312932(26(33)23(3929)1619745821(19)30)25(24)18101220(131118)3827(34)2296153622h313151625H114H22H3b2316+
MFCD02997317
prop2en1yl(2E)2(2fluorobenzylidene)5(4((furan2ylcarbonyl)oxy)phenyl)7methyl3oxo23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
prop2enyl(2E)2((2fluorophenyl)methylidene)5(4(furan2carbonyloxy)phenyl)7methyl3oxo5H(13)thiazolo(32a)pyrimidine6carboxylate
ZINC000100795547
ZINC000100795548
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