Vitas-M small molecule compound

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

Catalog ID
STK366654
SMILES CCOc1ccccc1C1C(=C(C)NC2=C1C(=O)CC(C2)(C)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 C22H27NO4 MW 369.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H27NO4/c1-6-27-17-10-8-7-9-14(17)19-18(21(25)26-5)13(2)23-15-11-22(3,4)12-16(24)20(15)19/h7-10,19,23H,6,11-12H2,1-5H3
InChIKey
KCHVOCHYVGRHAA-UHFFFAOYSA-N
Synonyms
292852-20-1
292852201
CCOC1=CC=CC=C1C2C3=C(CC(CC3=O)(C)C)NC(=C2C(=O)OC)C
InChI=1SC22H27NO4c1627171087914(17)1918(21(25)265)13(2)23151122(34)1216(24)20(15)19h7101923H61112H215H3
methyl4(2ethoxyphenyl)277trimethyl5oxo145678hexahydroquinoline3carboxylate
methyl4(2ethoxyphenyl)277trimethyl5oxo1468tetrahydroquinoline3carboxylate
MFCD00367584
ZINC000000823461
ZINC000000823462

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Available files

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