Vitas-M small molecule compound
methyl (2E)-5-(4-chlorophenyl)-2-(2-fluorobenzylidene)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK703177
SMILES COC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)Cl)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 C22H16ClFN2O3S MW 442.90 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H16ClFN2O3S/c1-12-18(21(28)29-2)19(13-7-9-15(23)10-8-13)26-20(27)17(30-22(26)25-12)11-14-5-3-4-6-16(14)24/h3-11,19H,1-2H3/b17-11+InChIKey
IEVZQYZEFKKXMF-GZTJUZNOSA-NSynonyms
300721-80-6(E)methyl5(4chlorophenyl)2(2fluorobenzylidene)7methyl3oxo35dihydro2Hthiazolo(32a)pyrimidine6carboxylate
300721806
CC1=C(C(N2C(=O)C(=CC3=CC=CC=C3F)SC2=N1)C4=CC=C(C=C4)Cl)C(=O)OC
COC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)Cl)c(=O)c(=Cc1ccccc1F)s2
InChI=1SC22H16ClFN2O3Sc11218(21(28)292)19(137915(23)10813)2620(27)17(3022(26)2512)1114534616(14)24h31119H12H3b1711+
methyl(2E)5(4chlorophenyl)2((2fluorophenyl)methylidene)7methyl3oxo5H(13)thiazolo(32a)pyrimidine6carboxylate
methyl(2E)5(4chlorophenyl)2(2fluorobenzylidene)7methyl3oxo23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
MFCD01949839
ZINC000008837582
ZINC000013774024
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