Vitas-M small molecule compound
ethyl 4-(6-bromo-1,3-benzodioxol-5-yl)-7-(4-chlorophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK363355
SMILES CCOC(=O)C1=C(C)NC2=C(C1c1cc3OCOc3cc1Br)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 C26H23BrClNO5 MW 544.83 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H23BrClNO5/c1-3-32-26(31)23-13(2)29-19-8-15(14-4-6-16(28)7-5-14)9-20(30)25(19)24(23)17-10-21-22(11-18(17)27)34-12-33-21/h4-7,10-11,15,24,29H,3,8-9,12H2,1-2H3InChIKey
ZJHCYXHTUPLJTJ-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(NC2=C(C1C3=CC4=C(C=C3Br)OCO4)C(=O)CC(C2)C5=CC=C(C=C5)Cl)C
ethyl4(6bromo13benzodioxol5yl)7(4chlorophenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
ethyl4(6bromo13benzodioxol5yl)7(4chlorophenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
InChI=1SC26H23BrClNO5c133226(31)2313(2)2919815(144616(28)7514)920(30)25(19)24(23)17102122(1118(17)27)34123321h471011152429H38912H212H3
MFCD01191857
ZINC000000659217
ZINC000000659226
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