Vitas-M small molecule compound
6-methyl 3-propan-2-yl 2,7-dimethyl-4-(5-methylthiophen-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate
Catalog ID
STK405017
SMILES COC(=O)C1C(C)CC2=C(C1=O)C(c1ccc(s1)C)C(=C(N2)C)C(=O)OC(C)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 C22H27NO5S MW 417.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H27NO5S/c1-10(2)28-22(26)17-13(5)23-14-9-11(3)16(21(25)27-6)20(24)18(14)19(17)15-8-7-12(4)29-15/h7-8,10-11,16,19,23H,9H2,1-6H3InChIKey
VMUJPIKXVDBYJJ-UHFFFAOYSA-NSynonyms
6methyl3propan2yl27dimethyl4(5methylthiophen2yl)5oxo145678hexahydroquinoline36dicarboxylate
6Omethyl3Opropan2yl27dimethyl4(5methylthiophen2yl)5oxo4678tetrahydro1Hquinoline36dicarboxylate
CC1CC2=C(C(C(=C(N2)C)C(=O)OC(C)C)C3=CC=C(S3)C)C(=O)C1C(=O)OC
InChI=1SC22H27NO5Sc110(2)2822(26)1713(5)2314911(3)16(21(25)276)20(24)18(14)19(17)158712(4)2915h781011161923H9H216H3
MFCD05025469
ZINC000004766981
ZINC000004766990
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