Vitas-M small molecule compound
butyl 4-(6-chloro-1,3-benzodioxol-5-yl)-7-(4-chlorophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK095725
SMILES CCCCOC(=O)C1=C(C)NC2=C(C1c1cc3OCOc3cc1Cl)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 C28H27Cl2NO5 MW 528.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H27Cl2NO5/c1-3-4-9-34-28(33)25-15(2)31-21-10-17(16-5-7-18(29)8-6-16)11-22(32)27(21)26(25)19-12-23-24(13-20(19)30)36-14-35-23/h5-8,12-13,17,26,31H,3-4,9-11,14H2,1-2H3InChIKey
SKBANHKKGIJHRC-UHFFFAOYSA-NSynonyms
butyl4(6chloro13benzodioxol5yl)7(4chlorophenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
butyl4(6chloro13benzodioxol5yl)7(4chlorophenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
CCCCOC(=O)C1=C(C)NC2=C(C1c1cc3OCOc3cc1Cl)C(=O)CC(C2)c1ccc(cc1)Cl
CCCCOC(=O)C1=C(NC2=C(C1C3=CC4=C(C=C3Cl)OCO4)C(=O)CC(C2)C5=CC=C(C=C5)Cl)C
InChI=1SC28H27Cl2NO5c13493428(33)2515(2)31211017(165718(29)8616)1122(32)27(21)26(25)19122324(1320(19)30)36143523h581213172631H3491114H212H3
MFCD01571936
STK095725
ZINC000100077286
ZINC000100077296
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