Vitas-M small molecule compound

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

Catalog ID
STK402309
SMILES CCOC(=O)C1=C(C)NC2=C(C1c1ccc(cc1)N(C)C)C(=O)CC(C2)c1ccc(cc1)Cl

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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 C27H29ClN2O3 MW 464.99 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H29ClN2O3/c1-5-33-27(32)24-16(2)29-22-14-19(17-6-10-20(28)11-7-17)15-23(31)26(22)25(24)18-8-12-21(13-9-18)30(3)4/h6-13,19,25,29H,5,14-15H2,1-4H3
InChIKey
BONHSRWRNXSOJN-UHFFFAOYSA-N
Synonyms

CCOC(=O)C1=C(NC2=C(C1C3=CC=C(C=C3)N(C)C)C(=O)CC(C2)C4=CC=C(C=C4)Cl)C
ethyl7(4chlorophenyl)4(4(dimethylamino)phenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
ethyl7(4chlorophenyl)4(4(dimethylamino)phenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
InChI=1SC27H29ClN2O3c153327(32)2416(2)29221419(1761020(28)11717)1523(31)26(22)25(24)1881221(13918)30(3)4h613192529H51415H214H3
MFCD01367187
ZINC000000688793
ZINC000002869781

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Available files

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