Vitas-M small molecule compound
4-[7-(4-chlorophenyl)-3-cyano-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinolin-4-yl]-2-methoxyphenyl acetate
Catalog ID
STK062264
SMILES N#CC1=C(C)NC2=C(C1c1ccc(c(c1)OC)OC(=O)C)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 C26H23ClN2O4 MW 462.93 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H23ClN2O4/c1-14-20(13-28)25(17-6-9-23(33-15(2)30)24(12-17)32-3)26-21(29-14)10-18(11-22(26)31)16-4-7-19(27)8-5-16/h4-9,12,18,25,29H,10-11H2,1-3H3InChIKey
BJJNTJLKTDPYNM-UHFFFAOYSA-NSynonyms
(4(7(4chlorophenyl)3cyano2methyl5oxo4678tetrahydro1Hquinolin4yl)2methoxyphenyl)acetate
4(7(4chlorophenyl)3cyano2methyl5oxo145678hexahydroquinolin4yl)2methoxyphenylacetate
CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=C(C=C3)Cl)C4=CC(=C(C=C4)OC(=O)C)OC)C#N
InChI=1SC26H23ClN2O4c11420(1328)25(176923(3315(2)30)24(1217)323)2621(2914)1018(1122(26)31)164719(27)8516h4912182529H1011H213H3
MFCD01656008
N#CC1=C(C)NC2=C(C1c1ccc(c(c1)OC)OC(=O)C)C(=O)CC(C2)c1ccc(cc1)Cl
STK062264
ZINC000019760764
ZINC000019760773
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