Vitas-M small molecule compound

2-methoxyethyl 4-(3-chloro-4-hydroxy-5-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

Catalog ID
STK363450
SMILES COCCOC(=O)C1=C(C)NC2=C(C1c1cc(Cl)c(c(c1)OC)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 C21H24ClNO6 MW 421.88 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H24ClNO6/c1-11-17(21(26)29-8-7-27-2)18(19-14(23-11)5-4-6-15(19)24)12-9-13(22)20(25)16(10-12)28-3/h9-10,18,23,25H,4-8H2,1-3H3
InChIKey
ZPJZRSVYDRDLHS-UHFFFAOYSA-N
Synonyms

2methoxyethyl4(3chloro4hydroxy5methoxyphenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
2methoxyethyl4(3chloro4hydroxy5methoxyphenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
CC1=C(C(C2=C(N1)CCCC2=O)C3=CC(=C(C(=C3)Cl)O)OC)C(=O)OCCOC
InChI=1SC21H24ClNO6c11117(21(26)2987272)18(1914(2311)54615(19)24)12913(22)20(25)16(1012)283h910182325H48H213H3
MFCD00752910
ZINC000002757439
ZINC000002757440

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Available files

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