Vitas-M small molecule compound
2-phenylethyl 4-(3-chloro-4-hydroxy-5-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK363385
SMILES COc1cc(cc(c1O)Cl)C1C(=C(C)NC2=C1C(=O)CCC2)C(=O)OCCc1ccccc1
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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 C26H26ClNO5 MW 467.95 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H26ClNO5/c1-15-22(26(31)33-12-11-16-7-4-3-5-8-16)23(24-19(28-15)9-6-10-20(24)29)17-13-18(27)25(30)21(14-17)32-2/h3-5,7-8,13-14,23,28,30H,6,9-12H2,1-2H3InChIKey
NUIGQLYLOYWVAZ-UHFFFAOYSA-NSynonyms
313244-62-12phenylethyl4(3chloro4hydroxy5methoxyphenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
2phenylethyl4(3chloro4hydroxy5methoxyphenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
313244621
CC1=C(C(C2=C(N1)CCCC2=O)C3=CC(=C(C(=C3)Cl)O)OC)C(=O)OCCC4=CC=CC=C4
InChI=1SC26H26ClNO5c11522(26(31)331211167435816)23(2419(2815)961020(24)29)171318(27)25(30)21(1417)322h35781314232830H6912H212H3
MFCD01367234
ZINC000000688916
ZINC000000688917
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