Vitas-M small molecule compound
methyl (2E)-5-(4-chlorophenyl)-2-(4-fluorobenzylidene)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK535007
SMILES COC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)Cl)c(=O)/c(=C\c1ccc(cc1)F)/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(14-5-7-15(23)8-6-14)26-20(27)17(30-22(26)25-12)11-13-3-9-16(24)10-4-13/h3-11,19H,1-2H3/b17-11+InChIKey
QIOAKZRVXMIVEN-GZTJUZNOSA-NSynonyms
300721-74-8(E)methyl5(4chlorophenyl)2(4fluorobenzylidene)7methyl3oxo35dihydro2Hthiazolo(32a)pyrimidine6carboxylate
300721748
CC1=C(C(N2C(=O)C(=CC3=CC=C(C=C3)F)SC2=N1)C4=CC=C(C=C4)Cl)C(=O)OC
COC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)Cl)c(=O)c(=Cc1ccc(cc1)F)s2
InChI=1SC22H16ClFN2O3Sc11218(21(28)292)19(145715(23)8614)2620(27)17(3022(26)2512)11133916(24)10413h31119H12H3b1711+
methyl(2E)5(4chlorophenyl)2((4fluorophenyl)methylidene)7methyl3oxo5H(13)thiazolo(32a)pyrimidine6carboxylate
methyl(2E)5(4chlorophenyl)2(4fluorobenzylidene)7methyl3oxo23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
MFCD01954437
ZINC000013774763
ZINC000013774765
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