Vitas-M small molecule compound

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

Catalog ID
STK372291
SMILES CCCOC(=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 C23H29NO3 MW 367.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H29NO3/c1-6-11-27-22(26)19-15(3)24-17-12-23(4,5)13-18(25)21(17)20(19)16-9-7-14(2)8-10-16/h7-10,20,24H,6,11-13H2,1-5H3
InChIKey
GPZJJXIUPZFVPW-UHFFFAOYSA-N
Synonyms

CCCOC(=O)C1=C(NC2=C(C1C3=CC=C(C=C3)C)C(=O)CC(C2)(C)C)C
InChI=1SC23H29NO3c16112722(26)1915(3)24171223(45)1318(25)21(17)20(19)169714(2)81016h7102024H61113H215H3
MFCD00753038
propyl277trimethyl4(4methylphenyl)5oxo145678hexahydroquinoline3carboxylate
propyl277trimethyl4(4methylphenyl)5oxo1468tetrahydroquinoline3carboxylate
ZINC000002055163
ZINC000002055164

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Available files

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