Vitas-M small molecule compound

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

Catalog ID
STK039339
SMILES COc1ccc(cc1)C1CC(=O)C2=C(C1)NC(=C(C2c1ccc(cc1)N(CC)CC)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 C28H31N3O2 MW 441.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H31N3O2/c1-5-31(6-2)22-11-7-20(8-12-22)27-24(17-29)18(3)30-25-15-21(16-26(32)28(25)27)19-9-13-23(33-4)14-10-19/h7-14,21,27,30H,5-6,15-16H2,1-4H3
InChIKey
MCHNALAQIYTEHD-UHFFFAOYSA-N
Synonyms

4(4(diethylamino)phenyl)7(4methoxyphenyl)2methyl5oxo145678hexahydroquinoline3carbonitrile
4(4(diethylamino)phenyl)7(4methoxyphenyl)2methyl5oxo4678tetrahydro1Hquinoline3carbonitrile
CCN(CC)C1=CC=C(C=C1)C2C(=C(NC3=C2C(=O)CC(C3)C4=CC=C(C=C4)OC)C)C#N
COc1ccc(cc1)C1CC(=O)C2=C(C1)NC(=C(C2c1ccc(cc1)N(CC)CC)C#N)C
InChI=1SC28H31N3O2c1531(62)2211720(81222)2724(1729)18(3)30251521(1626(32)28(25)27)1991323(334)141019h714212730H561516H214H3
MFCD01529767
STK039339
ZINC000000853791
ZINC000000853794

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Available files

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