Vitas-M small molecule compound
2-ethoxyethyl 4-(1,3-benzodioxol-5-yl)-7-(4-chlorophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK044943
SMILES CCOCCOC(=O)C1=C(C)NC2=C(C1c1ccc3c(c1)OCO3)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 C28H28ClNO6 MW 509.99 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H28ClNO6/c1-3-33-10-11-34-28(32)25-16(2)30-21-12-19(17-4-7-20(29)8-5-17)13-22(31)27(21)26(25)18-6-9-23-24(14-18)36-15-35-23/h4-9,14,19,26,30H,3,10-13,15H2,1-2H3InChIKey
VIVPMGSKCXLHME-UHFFFAOYSA-NSynonyms
2ethoxyethyl4(13benzodioxol5yl)7(4chlorophenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
2ethoxyethyl4(13benzodioxol5yl)7(4chlorophenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
CCOCCOC(=O)C1=C(C)NC2=C(C1c1ccc3c(c1)OCO3)C(=O)CC(C2)c1ccc(cc1)Cl
CCOCCOC(=O)C1=C(NC2=C(C1C3=CC4=C(C=C3)OCO4)C(=O)CC(C2)C5=CC=C(C=C5)Cl)C
InChI=1SC28H28ClNO6c133310113428(32)2516(2)30211219(174720(29)8517)1322(31)27(21)26(25)18692324(1418)36153523h4914192630H3101315H212H3
MFCD02632900
STK044943
ZINC000002727133
ZINC000002727136
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