Vitas-M small molecule compound
propyl 7-(4-chlorophenyl)-4-(3-hydroxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK027020
SMILES CCCOC(=O)C1=C(C)NC2=C(C1c1cccc(c1)O)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 C26H26ClNO4 MW 451.95 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H26ClNO4/c1-3-11-32-26(31)23-15(2)28-21-13-18(16-7-9-19(27)10-8-16)14-22(30)25(21)24(23)17-5-4-6-20(29)12-17/h4-10,12,18,24,28-29H,3,11,13-14H2,1-2H3InChIKey
OSTTYVXBISCDIN-UHFFFAOYSA-NSynonyms
CCCOC(=O)C1=C(C)NC2=C(C1c1cccc(c1)O)C(=O)CC(C2)c1ccc(cc1)Cl
CCCOC(=O)C1=C(NC2=C(C1C3=CC(=CC=C3)O)C(=O)CC(C2)C4=CC=C(C=C4)Cl)C
InChI=1SC26H26ClNO4c13113226(31)2315(2)28211318(167919(27)10816)1422(30)25(21)24(23)1754620(29)1217h4101218242829H3111314H212H3
MFCD02632869
propyl7(4chlorophenyl)4(3hydroxyphenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
propyl7(4chlorophenyl)4(3hydroxyphenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
STK027020
ZINC000100550453
ZINC000100550462
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