Vitas-M small molecule compound
butyl 4-(3-methoxy-4-propoxyphenyl)-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK097727
SMILES CCCCOC(=O)C1=C(C)NC2=C(C1c1ccc(c(c1)OC)OCCC)C(=O)CC(C2)c1ccccc1
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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 C31H37NO5 MW 503.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H37NO5/c1-5-7-16-37-31(34)28-20(3)32-24-17-23(21-11-9-8-10-12-21)18-25(33)30(24)29(28)22-13-14-26(36-15-6-2)27(19-22)35-4/h8-14,19,23,29,32H,5-7,15-18H2,1-4H3InChIKey
QHTGXKJDHVCXHJ-UHFFFAOYSA-NSynonyms
butyl4(3methoxy4propoxyphenyl)2methyl5oxo7phenyl145678hexahydroquinoline3carboxylate
butyl4(3methoxy4propoxyphenyl)2methyl5oxo7phenyl4678tetrahydro1Hquinoline3carboxylate
CCCCOC(=O)C1=C(C)NC2=C(C1c1ccc(c(c1)OC)OCCC)C(=O)CC(C2)c1ccccc1
CCCCOC(=O)C1=C(NC2=C(C1C3=CC(=C(C=C3)OCCC)OC)C(=O)CC(C2)C4=CC=CC=C4)C
InChI=1SC31H37NO5c157163731(34)2820(3)32241723(211198101221)1825(33)30(24)29(28)22131426(361562)27(1922)354h81419232932H571518H214H3
MFCD00771422
STK097727
ZINC000002775347
ZINC000002775350
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