Vitas-M small molecule compound

ethyl 4-[4-(diethylamino)phenyl]-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

Catalog ID
STK004368
SMILES CCOC(=O)C1=C(C)NC2=C(C1c1ccc(cc1)N(CC)CC)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 C29H34N2O3 MW 458.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H34N2O3/c1-5-31(6-2)23-15-13-21(14-16-23)27-26(29(33)34-7-3)19(4)30-24-17-22(18-25(32)28(24)27)20-11-9-8-10-12-20/h8-16,22,27,30H,5-7,17-18H2,1-4H3
InChIKey
YWQPILYDJWMZCL-UHFFFAOYSA-N
Synonyms

CCN(CC)C1=CC=C(C=C1)C2C3=C(CC(CC3=O)C4=CC=CC=C4)NC(=C2C(=O)OCC)C
CCOC(=O)C1=C(C)NC2=C(C1c1ccc(cc1)N(CC)CC)C(=O)CC(C2)c1ccccc1
ethyl4(4(diethylamino)phenyl)2methyl5oxo7phenyl145678hexahydroquinoline3carboxylate
ethyl4(4(diethylamino)phenyl)2methyl5oxo7phenyl4678tetrahydro1Hquinoline3carboxylate
InChI=1SC29H34N2O3c1531(62)23151321(141623)2726(29(33)3473)19(4)30241722(1825(32)28(24)27)201198101220h816222730H571718H214H3
MFCD00614943
STK004368
ZINC000008916359
ZINC000008916364

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Available files

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