Vitas-M small molecule compound

2-phenoxyethyl 2-methyl-5-oxo-4-[4-(propan-2-yl)phenyl]-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

Catalog ID
STK082553
SMILES CC(c1ccc(cc1)C1C(=C(C)NC2=C1C(=O)CCC2)C(=O)OCCOc1ccccc1)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 C28H31NO4 MW 445.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H31NO4/c1-18(2)20-12-14-21(15-13-20)26-25(19(3)29-23-10-7-11-24(30)27(23)26)28(31)33-17-16-32-22-8-5-4-6-9-22/h4-6,8-9,12-15,18,26,29H,7,10-11,16-17H2,1-3H3
InChIKey
HRYVBDGISUPMBJ-UHFFFAOYSA-N
Synonyms

2phenoxyethyl2methyl5oxo4(4(propan2yl)phenyl)145678hexahydroquinoline3carboxylate
2phenoxyethyl2methyl5oxo4(4propan2ylphenyl)4678tetrahydro1Hquinoline3carboxylate
CC(c1ccc(cc1)C1C(=C(C)NC2=C1C(=O)CCC2)C(=O)OCCOc1ccccc1)C
CC1=C(C(C2=C(N1)CCCC2=O)C3=CC=C(C=C3)C(C)C)C(=O)OCCOC4=CC=CC=C4
InChI=1SC28H31NO4c118(2)20121421(151320)2625(19(3)29231071124(30)27(23)26)28(31)33171632228546922h46891215182629H710111617H213H3
MFCD02104457
STK082553
ZINC000002784240
ZINC000002784241

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Available files

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