Vitas-M small molecule compound

3-ethyl 6-methyl 4-(4-ethylphenyl)-2,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate

Catalog ID
STK407501
SMILES CCOC(=O)C1=C(C)NC2=C(C1c1ccc(cc1)CC)C(=O)C(C(C2)C)C(=O)OC

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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 C24H29NO5 MW 411.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H29NO5/c1-6-15-8-10-16(11-9-15)20-19(24(28)30-7-2)14(4)25-17-12-13(3)18(23(27)29-5)22(26)21(17)20/h8-11,13,18,20,25H,6-7,12H2,1-5H3
InChIKey
YIFMTEOMTVBMDG-UHFFFAOYSA-N
Synonyms

3ethyl6methyl4(4ethylphenyl)27dimethyl5oxo145678hexahydroquinoline36dicarboxylate
3Oethyl6Omethyl4(4ethylphenyl)27dimethyl5oxo4678tetrahydro1Hquinoline36dicarboxylate
CCC1=CC=C(C=C1)C2C3=C(CC(C(C3=O)C(=O)OC)C)NC(=C2C(=O)OCC)C
InChI=1SC24H29NO5c161581016(11915)2019(24(28)3072)14(4)25171213(3)18(23(27)295)22(26)21(17)20h81113182025H6712H215H3
MFCD04057150
ZINC000017088910
ZINC000102009035

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Available files

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