Vitas-M small molecule compound
ethyl (2Z)-2-[(2-hydroxy-7-methoxyquinolin-3-yl)methylidene]-7-methyl-5-(4-methylphenyl)-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STL365339
SMILES CCOC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)C)c(=O)/c(=C/c1cc3ccc(cc3nc1O)OC)/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 C28H25N3O5S MW 515.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H25N3O5S/c1-5-36-27(34)23-16(3)29-28-31(24(23)17-8-6-15(2)7-9-17)26(33)22(37-28)13-19-12-18-10-11-20(35-4)14-21(18)30-25(19)32/h6-14,24H,5H2,1-4H3,(H,30,32)/b22-13-InChIKey
QZXBQGCHSBMVFO-XKZIYDEJSA-NSynonyms
CCOC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)C)c(=O)c(=Cc1cc3ccc(cc3nc1O)OC)s2
CCOC(=O)C1=C(N=C2N(C1C3=CC=C(C=C3)C)C(=O)C(=CC4=CC5=C(C=C(C=C5)OC)NC4=O)S2)C
ethyl(2Z)2((2hydroxy7methoxyquinolin3yl)methylidene)7methyl5(4methylphenyl)3oxo23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
ethyl(2Z)2((7methoxy2oxo1Hquinolin3yl)methylidene)7methyl5(4methylphenyl)3oxo5H(13)thiazolo(32a)pyrimidine6carboxylate
InChI=1SC28H25N3O5Sc153627(34)2316(3)292831(24(23)178615(2)7917)26(33)22(3728)13191218101120(354)1421(18)3025(19)32h61424H5H214H3(H3032)b2213
MFCD09476008
ZINC000015018871
ZINC000015018872
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