Vitas-M small molecule compound
benzyl 4-[4-(diethylamino)phenyl]-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK066285
SMILES CCN(c1ccc(cc1)C1C(=C(C)NC2=C1C(=O)CC(C2)(C)C)C(=O)OCc1ccccc1)CC
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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 C30H36N2O3 MW 472.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H36N2O3/c1-6-32(7-2)23-15-13-22(14-16-23)27-26(29(34)35-19-21-11-9-8-10-12-21)20(3)31-24-17-30(4,5)18-25(33)28(24)27/h8-16,27,31H,6-7,17-19H2,1-5H3InChIKey
COPJFBXIZLFLML-UHFFFAOYSA-NSynonyms
benzyl4(4(diethylamino)phenyl)277trimethyl5oxo145678hexahydroquinoline3carboxylate
benzyl4(4(diethylamino)phenyl)277trimethyl5oxo1468tetrahydroquinoline3carboxylate
CCN(c1ccc(cc1)C1C(=C(C)NC2=C1C(=O)CC(C2)(C)C)C(=O)OCc1ccccc1)CC
CCN(CC)C1=CC=C(C=C1)C2C3=C(CC(CC3=O)(C)C)NC(=C2C(=O)OCC4=CC=CC=C4)C
InChI=1SC30H36N2O3c1632(72)23151322(141623)2726(29(34)3519211198101221)20(3)31241730(45)1825(33)28(24)27h8162731H671719H215H3
MFCD00315337
STK066285
ZINC000004042358
ZINC000004042360
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