Vitas-M small molecule compound

2-methoxyethyl 4-(2-ethoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

Catalog ID
STK062732
SMILES COCCOC(=O)C1=C(C)NC2=C(C1c1ccccc1OCC)C(=O)CC(C2)(C)C

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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 C24H31NO5 MW 413.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H31NO5/c1-6-29-19-10-8-7-9-16(19)21-20(23(27)30-12-11-28-5)15(2)25-17-13-24(3,4)14-18(26)22(17)21/h7-10,21,25H,6,11-14H2,1-5H3
InChIKey
HVXMRRNLIRZAPD-UHFFFAOYSA-N
Synonyms

2methoxyethyl4(2ethoxyphenyl)277trimethyl5oxo145678hexahydroquinoline3carboxylate
2methoxyethyl4(2ethoxyphenyl)277trimethyl5oxo1468tetrahydroquinoline3carboxylate
CCOC1=CC=CC=C1C2C3=C(CC(CC3=O)(C)C)NC(=C2C(=O)OCCOC)C
COCCOC(=O)C1=C(C)NC2=C(C1c1ccccc1OCC)C(=O)CC(C2)(C)C
InChI=1SC24H31NO5c1629191087916(19)2120(23(27)301211285)15(2)25171324(34)1418(26)22(17)21h7102125H61114H215H3
MFCD00753181
STK062732
ZINC000004060822
ZINC000004060827

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Available files

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