Vitas-M small molecule compound
ethyl (2Z)-2-{3-[(2-chloro-5-fluoropyrimidin-4-yl)oxy]benzylidene}-7-methyl-5-(4-methylphenyl)-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STL367844
SMILES CCOC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)C)c(=O)/c(=C/c1cccc(c1)Oc1nc(Cl)ncc1F)/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 C28H22ClFN4O4S MW 565.02 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H22ClFN4O4S/c1-4-37-26(36)22-16(3)32-28-34(23(22)18-10-8-15(2)9-11-18)25(35)21(39-28)13-17-6-5-7-19(12-17)38-24-20(30)14-31-27(29)33-24/h5-14,23H,4H2,1-3H3/b21-13-InChIKey
BYOUPGRYRMLYRX-BKUYFWCQSA-NSynonyms
CCOC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)C)c(=O)c(=Cc1cccc(c1)Oc1nc(Cl)ncc1F)s2
CCOC(=O)C1=C(N=C2N(C1C3=CC=C(C=C3)C)C(=O)C(=CC4=CC(=CC=C4)OC5=NC(=NC=C5F)Cl)S2)C
ethyl(2Z)2((3(2chloro5fluoropyrimidin4yl)oxyphenyl)methylidene)7methyl5(4methylphenyl)3oxo5H(13)thiazolo(32a)pyrimidine6carboxylate
ethyl(2Z)2(3((2chloro5fluoropyrimidin4yl)oxy)benzylidene)7methyl5(4methylphenyl)3oxo23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
InChI=1SC28H22ClFN4O4Sc143726(36)2216(3)322834(23(22)1810815(2)91118)25(35)21(3928)131765719(1217)382420(30)143127(29)3324h51423H4H213H3b2113
MFCD28951949
ZINC000105965348
ZINC000105965353
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