Vitas-M small molecule compound
dimethyl 4-(4-ethylphenyl)-2-methyl-5-oxo-7-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate
Catalog ID
STK776034
SMILES COC(=O)C1=C(C)NC2=C(C1c1ccc(cc1)CC)C(=O)C(C(C2)c1cccs1)C(=O)OC
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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 C26H27NO5S MW 465.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H27NO5S/c1-5-15-8-10-16(11-9-15)21-20(25(29)31-3)14(2)27-18-13-17(19-7-6-12-33-19)22(26(30)32-4)24(28)23(18)21/h6-12,17,21-22,27H,5,13H2,1-4H3InChIKey
LCQALXLHCDONOG-UHFFFAOYSA-NSynonyms
CCC1=CC=C(C=C1)C2C3=C(CC(C(C3=O)C(=O)OC)C4=CC=CS4)NC(=C2C(=O)OC)C
dimethyl4(4ethylphenyl)2methyl5oxo7(thiophen2yl)145678hexahydroquinoline36dicarboxylate
dimethyl4(4ethylphenyl)2methyl5oxo7thiophen2yl4678tetrahydro1Hquinoline36dicarboxylate
InChI=1SC26H27NO5Sc151581016(11915)2120(25(29)313)14(2)27181317(1976123319)22(26(30)324)24(28)23(18)21h61217212227H513H214H3
MFCD05258403
ZINC000012413266
ZINC000103011278
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