Vitas-M small molecule compound
4-(3-cyano-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinolin-4-yl)-2-ethoxyphenyl acetate
Catalog ID
STK363708
SMILES CCOc1cc(ccc1OC(=O)C)C1C(=C(C)NC2=C1C(=O)CC(C2)c1ccccc1)C#N
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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 C27H26N2O4 MW 442.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H26N2O4/c1-4-32-25-14-19(10-11-24(25)33-17(3)30)26-21(15-28)16(2)29-22-12-20(13-23(31)27(22)26)18-8-6-5-7-9-18/h5-11,14,20,26,29H,4,12-13H2,1-3H3InChIKey
MFJRZILBSNBMMG-UHFFFAOYSA-NSynonyms
5707-94-8(4(3cyano2methyl5oxo7phenyl4678tetrahydro1Hquinolin4yl)2ethoxyphenyl)acetate
4(3cyano2methyl5oxo7phenyl145678hexahydroquinolin4yl)2ethoxyphenylacetate
5707948
CCOC1=C(C=CC(=C1)C2C(=C(NC3=C2C(=O)CC(C3)C4=CC=CC=C4)C)C#N)OC(=O)C
InChI=1SC27H26N2O4c1432251419(101124(25)3317(3)30)2621(1528)16(2)29221220(1323(31)27(22)26)188657918h51114202629H41213H213H3
MFCD01590131
ZINC000019636073
ZINC000019636084
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