Vitas-M small molecule compound

2-ethoxyethyl 4-(3-ethoxy-4-hydroxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

Catalog ID
STK363217
SMILES CCOCCOC(=O)C1=C(C)NC2=C(C1c1ccc(c(c1)OCC)O)C(=O)CCC2

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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 C23H29NO6 MW 415.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H29NO6/c1-4-28-11-12-30-23(27)20-14(3)24-16-7-6-8-18(26)22(16)21(20)15-9-10-17(25)19(13-15)29-5-2/h9-10,13,21,24-25H,4-8,11-12H2,1-3H3
InChIKey
BUGAFGQHMXUBNS-UHFFFAOYSA-N
Synonyms
299945-63-4
299945634
2ethoxyethyl4(3ethoxy4hydroxyphenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
2ethoxyethyl4(3ethoxy4hydroxyphenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
CCOCCOC(=O)C1=C(NC2=C(C1C3=CC(=C(C=C3)O)OCC)C(=O)CCC2)C
InChI=1SC23H29NO6c142811123023(27)2014(3)241676818(26)22(16)21(20)1591017(25)19(1315)2952h91013212425H481112H213H3
MFCD00752921
ZINC000002055083
ZINC000002055084

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Available files

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