Vitas-M small molecule compound
ethyl 4-(3-methoxy-4-propoxyphenyl)-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK079772
SMILES CCCOc1ccc(cc1OC)C1C(=C(C)NC2=C1C(=O)CC(C2)c1ccccc1)C(=O)OCC
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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 C29H33NO5 MW 475.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H33NO5/c1-5-14-35-24-13-12-20(17-25(24)33-4)27-26(29(32)34-6-2)18(3)30-22-15-21(16-23(31)28(22)27)19-10-8-7-9-11-19/h7-13,17,21,27,30H,5-6,14-16H2,1-4H3InChIKey
QVQRKNPQRLWUMP-UHFFFAOYSA-NSynonyms
CCCOC1=C(C=C(C=C1)C2C3=C(CC(CC3=O)C4=CC=CC=C4)NC(=C2C(=O)OCC)C)OC
CCCOc1ccc(cc1OC)C1C(=C(C)NC2=C1C(=O)CC(C2)c1ccccc1)C(=O)OCC
ethyl4(3methoxy4propoxyphenyl)2methyl5oxo7phenyl145678hexahydroquinoline3carboxylate
ethyl4(3methoxy4propoxyphenyl)2methyl5oxo7phenyl4678tetrahydro1Hquinoline3carboxylate
InChI=1SC29H33NO5c15143524131220(1725(24)334)2726(29(32)3462)18(3)30221521(1623(31)28(22)27)19108791119h71317212730H561416H214H3
MFCD00771274
STK079772
ZINC000008440554
ZINC000008440560
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