Vitas-M small molecule compound

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

Catalog ID
STK372310
SMILES COCCOC(=O)C1=C(C)NC2=C(C1c1ccc(cc1)C)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 C23H29NO4 MW 383.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H29NO4/c1-14-6-8-16(9-7-14)20-19(22(26)28-11-10-27-5)15(2)24-17-12-23(3,4)13-18(25)21(17)20/h6-9,20,24H,10-13H2,1-5H3
InChIKey
ADXRSXASQOCZDF-UHFFFAOYSA-N
Synonyms

2methoxyethyl277trimethyl4(4methylphenyl)5oxo145678hexahydroquinoline3carboxylate
2methoxyethyl277trimethyl4(4methylphenyl)5oxo1468tetrahydroquinoline3carboxylate
CC1=CC=C(C=C1)C2C3=C(CC(CC3=O)(C)C)NC(=C2C(=O)OCCOC)C
InChI=1SC23H29NO4c1146816(9714)2019(22(26)281110275)15(2)24171223(34)1318(25)21(17)20h692024H1013H215H3
MFCD00753305
ZINC000004061010
ZINC000004061014

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Available files

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