Vitas-M small molecule compound

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

Catalog ID
STK402507
SMILES COc1ccc(cc1)C1CC(=O)C2=C(C1)NC(=C(C2c1ccccc1OCc1ccccc1)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 C39H37NO6 MW 615.73 g/mol Purity >90% as per NMR
InChI
InChI=1S/C39H37NO6/c1-26-36(39(42)45-22-21-44-31-13-7-4-8-14-31)37(32-15-9-10-16-35(32)46-25-27-11-5-3-6-12-27)38-33(40-26)23-29(24-34(38)41)28-17-19-30(43-2)20-18-28/h3-20,29,37,40H,21-25H2,1-2H3
InChIKey
LZLPVLHJCAXHIX-UHFFFAOYSA-N
Synonyms
312586-41-7
2phenoxyethyl4(2(benzyloxy)phenyl)7(4methoxyphenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
2phenoxyethyl7(4methoxyphenyl)2methyl5oxo4(2phenylmethoxyphenyl)4678tetrahydro1Hquinoline3carboxylate
312586417
CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=C(C=C3)OC)C4=CC=CC=C4OCC5=CC=CC=C5)C(=O)OCCOC6=CC=CC=C6
InChI=1SC39H37NO6c12636(39(42)4522214431137481431)37(32159101635(32)462527115361227)3833(4026)2329(2434(38)41)28171930(432)201828h320293740H2125H212H3
MFCD01823656
ZINC000100572029
ZINC000100572038

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Available files

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