Vitas-M small molecule compound
ethyl (2Z)-7-methyl-5-(4-methylphenyl)-3-oxo-2-[3-(prop-2-en-1-yloxy)benzylidene]-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STL484844
SMILES C=CCOc1cccc(c1)/C=c/1\sc2=NC(=C(C(n2c1=O)c1ccc(cc1)C)C(=O)OCC)C
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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 C27H26N2O4S MW 474.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H26N2O4S/c1-5-14-33-21-9-7-8-19(15-21)16-22-25(30)29-24(20-12-10-17(3)11-13-20)23(26(31)32-6-2)18(4)28-27(29)34-22/h5,7-13,15-16,24H,1,6,14H2,2-4H3/b22-16-InChIKey
CDAKHXZDXPUNOP-JWGURIENSA-NSynonyms
C=CCOc1cccc(c1)C=c1sc2=NC(=C(C(n2c1=O)c1ccc(cc1)C)C(=O)OCC)C
CCOC(=O)C1=C(N=C2N(C1C3=CC=C(C=C3)C)C(=O)C(=CC4=CC(=CC=C4)OCC=C)S2)C
ethyl(2Z)7methyl5(4methylphenyl)3oxo2((3prop2enoxyphenyl)methylidene)5H(13)thiazolo(32a)pyrimidine6carboxylate
ethyl(2Z)7methyl5(4methylphenyl)3oxo2(3(prop2en1yloxy)benzylidene)23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
InChI=1SC27H26N2O4Sc1514332197819(1521)162225(30)2924(20121017(3)111320)23(26(31)3262)18(4)2827(29)3422h5713151624H1614H224H3b2216
MFCD01140792
ZINC000039850449
ZINC000039850450
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