Vitas-M small molecule compound

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

Catalog ID
STK067621
SMILES COc1ccc(cc1)C1CC(=O)C2=C(C1)NC(=C(C2c1ccc(cc1)OCc1ccccc1)C#N)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 C31H28N2O3 MW 476.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H28N2O3/c1-20-27(18-32)30(23-10-14-26(15-11-23)36-19-21-6-4-3-5-7-21)31-28(33-20)16-24(17-29(31)34)22-8-12-25(35-2)13-9-22/h3-15,24,30,33H,16-17,19H2,1-2H3
InChIKey
BULQSZFUUNIHEJ-UHFFFAOYSA-N
Synonyms

4(4(benzyloxy)phenyl)7(4methoxyphenyl)2methyl5oxo145678hexahydroquinoline3carbonitrile
7(4methoxyphenyl)2methyl5oxo4(4phenylmethoxyphenyl)4678tetrahydro1Hquinoline3carbonitrile
CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=C(C=C3)OC)C4=CC=C(C=C4)OCC5=CC=CC=C5)C#N
COc1ccc(cc1)C1CC(=O)C2=C(C1)NC(=C(C2c1ccc(cc1)OCc1ccccc1)C#N)C
InChI=1SC31H28N2O3c12027(1832)30(23101426(151123)3619216435721)3128(3320)1624(1729(31)34)2281225(352)13922h315243033H161719H212H3
MFCD01572214
STK067621
ZINC000000707863
ZINC000000707866

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Available files

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