Vitas-M small molecule compound

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

Catalog ID
STK407413
SMILES CCOC(=O)C1=C(C)NC2=C(C1c1cccc(c1)OCC)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 C24H29NO6 MW 427.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H29NO6/c1-6-30-16-10-8-9-15(12-16)20-19(24(28)31-7-2)14(4)25-17-11-13(3)18(23(27)29-5)22(26)21(17)20/h8-10,12-13,18,20,25H,6-7,11H2,1-5H3
InChIKey
FPNNMCBFQCCFTR-UHFFFAOYSA-N
Synonyms

3ethyl6methyl4(3ethoxyphenyl)27dimethyl5oxo145678hexahydroquinoline36dicarboxylate
3Oethyl6Omethyl4(3ethoxyphenyl)27dimethyl5oxo4678tetrahydro1Hquinoline36dicarboxylate
CCOC1=CC=CC(=C1)C2C3=C(CC(C(C3=O)C(=O)OC)C)NC(=C2C(=O)OCC)C
InChI=1SC24H29NO6c163016108915(1216)2019(24(28)3172)14(4)25171113(3)18(23(27)295)22(26)21(17)20h8101213182025H6711H215H3
MFCD04057062
ZINC000013482430
ZINC000101316031

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Available files

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