Vitas-M small molecule compound

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

Catalog ID
STK363171
SMILES COC(=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 C28H32N2O3 MW 444.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H32N2O3/c1-5-30(6-2)22-14-12-20(13-15-22)26-25(28(32)33-4)18(3)29-23-16-21(17-24(31)27(23)26)19-10-8-7-9-11-19/h7-15,21,26,29H,5-6,16-17H2,1-4H3
InChIKey
LPRZIIKGLMNTQR-UHFFFAOYSA-N
Synonyms

CCN(CC)C1=CC=C(C=C1)C2C3=C(CC(CC3=O)C4=CC=CC=C4)NC(=C2C(=O)OC)C
InChI=1SC28H32N2O3c1530(62)22141220(131522)2625(28(32)334)18(3)29231621(1724(31)27(23)26)19108791119h715212629H561617H214H3
methyl4(4(diethylamino)phenyl)2methyl5oxo7phenyl145678hexahydroquinoline3carboxylate
methyl4(4(diethylamino)phenyl)2methyl5oxo7phenyl4678tetrahydro1Hquinoline3carboxylate
MFCD00614973
ZINC000004043997
ZINC000004044001

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.