Vitas-M small molecule compound
ethyl 4-[4-(acetyloxy)phenyl]-2-methyl-5-oxo-7-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK402832
SMILES CCOC(=O)C1=C(C)NC2=C(C1c1ccc(cc1)OC(=O)C)C(=O)CC(C2)c1cccs1
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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 C25H25NO5S MW 451.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H25NO5S/c1-4-30-25(29)22-14(2)26-19-12-17(21-6-5-11-32-21)13-20(28)24(19)23(22)16-7-9-18(10-8-16)31-15(3)27/h5-11,17,23,26H,4,12-13H2,1-3H3InChIKey
KAPQGIUOKOUHRH-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(NC2=C(C1C3=CC=C(C=C3)OC(=O)C)C(=O)CC(C2)C4=CC=CS4)C
ethyl4(4(acetyloxy)phenyl)2methyl5oxo7(thiophen2yl)145678hexahydroquinoline3carboxylate
ethyl4(4acetyloxyphenyl)2methyl5oxo7thiophen2yl4678tetrahydro1Hquinoline3carboxylate
InChI=1SC25H25NO5Sc143025(29)2214(2)26191217(2165113221)1320(28)24(19)23(22)167918(10816)3115(3)27h511172326H41213H213H3
MFCD03370909
ZINC000001427471
ZINC000001427474
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