Vitas-M small molecule compound
4-[4-(benzyloxy)phenyl]-7-(4-chlorophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STK024578
SMILES N#CC1=C(C)NC2=C(C1c1ccc(cc1)OCc1ccccc1)C(=O)CC(C2)c1ccc(cc1)Cl
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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 C30H25ClN2O2 MW 480.99 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H25ClN2O2/c1-19-26(17-32)29(22-9-13-25(14-10-22)35-18-20-5-3-2-4-6-20)30-27(33-19)15-23(16-28(30)34)21-7-11-24(31)12-8-21/h2-14,23,29,33H,15-16,18H2,1H3InChIKey
GCCLCKMGWIQRPL-UHFFFAOYSA-NSynonyms
4(4(benzyloxy)phenyl)7(4chlorophenyl)2methyl5oxo145678hexahydroquinoline3carbonitrile
7(4chlorophenyl)2methyl5oxo4(4phenylmethoxyphenyl)4678tetrahydro1Hquinoline3carbonitrile
CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)OCC5=CC=CC=C5)C#N
InChI=1SC30H25ClN2O2c11926(1732)29(2291325(141022)3518205324620)3027(3319)1523(1628(30)34)2171124(31)12821h214232933H151618H21H3
MFCD01445711
N#CC1=C(C)NC2=C(C1c1ccc(cc1)OCc1ccccc1)C(=O)CC(C2)c1ccc(cc1)Cl
STK024578
ZINC000000666927
ZINC000000666938
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