Vitas-M small molecule compound

methyl 4-(4-hydroxy-3-methoxyphenyl)-7-methyl-2,5-dioxo-1,2,3,4,5,6,7,8-octahydroquinoline-6-carboxylate

Catalog ID
STK406640
SMILES COC(=O)C1C(C)CC2=C(C1=O)C(CC(=O)N2)c1ccc(c(c1)OC)O

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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 C19H21NO6 MW 359.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H21NO6/c1-9-6-12-17(18(23)16(9)19(24)26-3)11(8-15(22)20-12)10-4-5-13(21)14(7-10)25-2/h4-5,7,9,11,16,21H,6,8H2,1-3H3,(H,20,22)
InChIKey
FGKBLERAPKPTHT-UHFFFAOYSA-N
Synonyms

CC1CC2=C(C(CC(=O)N2)C3=CC(=C(C=C3)O)OC)C(=O)C1C(=O)OC
InChI=1SC19H21NO6c1961217(18(23)16(9)19(24)263)11(815(22)2012)104513(21)14(710)252h4579111621H68H213H3(H2022)
methyl4(4hydroxy3methoxyphenyl)7methyl25dioxo12345678octahydroquinoline6carboxylate
methyl4(4hydroxy3methoxyphenyl)7methyl25dioxo134678hexahydroquinoline6carboxylate
MFCD07613261
ZINC000013147483
ZINC000102014241

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Available files

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