Vitas-M small molecule compound
4-[3-cyano-7-(4-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinolin-4-yl]-2-methoxyphenyl acetate
Catalog ID
STK034442
SMILES COc1ccc(cc1)C1CC(=O)C2=C(C1)NC(=C(C2c1ccc(c(c1)OC)OC(=O)C)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 C27H26N2O5 MW 458.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H26N2O5/c1-15-21(14-28)26(18-7-10-24(34-16(2)30)25(13-18)33-4)27-22(29-15)11-19(12-23(27)31)17-5-8-20(32-3)9-6-17/h5-10,13,19,26,29H,11-12H2,1-4H3InChIKey
UKXASZBGQKSDQM-UHFFFAOYSA-NSynonyms
(4(3cyano7(4methoxyphenyl)2methyl5oxo4678tetrahydro1Hquinolin4yl)2methoxyphenyl)acetate
4(3cyano7(4methoxyphenyl)2methyl5oxo145678hexahydroquinolin4yl)2methoxyphenylacetate
CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=C(C=C3)OC)C4=CC(=C(C=C4)OC(=O)C)OC)C#N
COc1ccc(cc1)C1CC(=O)C2=C(C1)NC(=C(C2c1ccc(c(c1)OC)OC(=O)C)C#N)C
InChI=1SC27H26N2O5c11521(1428)26(1871024(3416(2)30)25(1318)334)2722(2915)1119(1223(27)31)175820(323)9617h51013192629H1112H214H3
MFCD01572215
STK034442
ZINC000019830838
ZINC000019830841
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