Vitas-M small molecule compound

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

Catalog ID
STK363360
SMILES COc1cc(ccc1OCc1ccccc1)C1C(=C(C)NC2=C1C(=O)CCC2)C(=O)OCCOc1ccccc1

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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 C33H33NO6 MW 539.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H33NO6/c1-22-30(33(36)39-19-18-38-25-12-7-4-8-13-25)31(32-26(34-22)14-9-15-27(32)35)24-16-17-28(29(20-24)37-2)40-21-23-10-5-3-6-11-23/h3-8,10-13,16-17,20,31,34H,9,14-15,18-19,21H2,1-2H3
InChIKey
MAYIAXLCPIYMKQ-UHFFFAOYSA-N
Synonyms

2phenoxyethyl4(3methoxy4phenylmethoxyphenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
2phenoxyethyl4(4(benzyloxy)3methoxyphenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
CC1=C(C(C2=C(N1)CCCC2=O)C3=CC(=C(C=C3)OCC4=CC=CC=C4)OC)C(=O)OCCOC5=CC=CC=C5
InChI=1SC33H33NO6c12230(33(36)3919183825127481325)31(3226(3422)1491527(32)35)24161728(29(2024)372)402123105361123h3810131617203134H91415181921H212H3
MFCD01191845
ZINC000002955400
ZINC000097950610

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Available files

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