Vitas-M small molecule compound

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

Catalog ID
STK372285
SMILES CCCOC(=O)C1=C(C)NC2=C(C1c1ccccc1OC)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/c1-6-11-28-22(26)19-14(2)24-16-12-23(3,4)13-17(25)21(16)20(19)15-9-7-8-10-18(15)27-5/h7-10,20,24H,6,11-13H2,1-5H3
InChIKey
MDNGQPZQNCRTPV-UHFFFAOYSA-N
Synonyms

CCCOC(=O)C1=C(NC2=C(C1C3=CC=CC=C3OC)C(=O)CC(C2)(C)C)C
InChI=1SC23H29NO4c16112822(26)1914(2)24161223(34)1317(25)21(16)20(19)159781018(15)275h7102024H61113H215H3
MFCD00752928
propyl4(2methoxyphenyl)277trimethyl5oxo145678hexahydroquinoline3carboxylate
propyl4(2methoxyphenyl)277trimethyl5oxo1468tetrahydroquinoline3carboxylate
ZINC000003094369
ZINC000003094370

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Available files

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