Vitas-M small molecule compound
ethyl (2E)-5-(4-methoxyphenyl)-7-methyl-2-[(6-methylquinolin-2-yl)methylidene]-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK762806
SMILES CCOC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)OC)c(=O)/c(=C\c1ccc3c(n1)ccc(c3)C)/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 C28H25N3O4S MW 499.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H25N3O4S/c1-5-35-27(33)24-17(3)29-28-31(25(24)18-8-11-21(34-4)12-9-18)26(32)23(36-28)15-20-10-7-19-14-16(2)6-13-22(19)30-20/h6-15,25H,5H2,1-4H3/b23-15+InChIKey
KBPYHRURLUXICB-HZHRSRAPSA-NSynonyms
CCOC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)OC)c(=O)c(=Cc1ccc3c(n1)ccc(c3)C)s2
CCOC(=O)C1=C(N=C2N(C1C3=CC=C(C=C3)OC)C(=O)C(=CC4=NC5=C(C=C4)C=C(C=C5)C)S2)C
ethyl(2E)5(4methoxyphenyl)7methyl2((6methylquinolin2yl)methylidene)3oxo23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
ETHYL(2E)5(4METHOXYPHENYL)7METHYL2((6METHYLQUINOLIN2YL)METHYLIDENE)3OXO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
ETHYL5(4METHOXYPHENYL)7METHYL2((6METHYL(2QUINOLYL))METHYLENE)3OXO45DIHYDRO13THIAZOLIDINO(32A)PYRIMIDINE6CARBOXYLATE
ETHYL5(4METHOXYPHENYL)7METHYL2((6METHYL2QUINOLINYL)METHYLENE)3OXO23DIHYDRO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
InChI=1SC28H25N3O4Sc153527(33)2417(3)292831(25(24)1881121(344)12918)26(32)23(3628)1520107191416(2)61322(19)3020h61525H5H214H3b2315+
MFCD02010774
ZINC000008426488
ZINC000032110901
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