Vitas-M small molecule compound
2-ethoxyethyl 4-(6-bromo-1,3-benzodioxol-5-yl)-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK061991
SMILES CCOCCOC(=O)C1=C(C)NC2=C(C1c1cc3OCOc3cc1Br)C(=O)CC(C2)c1ccccc1
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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 C28H28BrNO6 MW 554.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H28BrNO6/c1-3-33-9-10-34-28(32)25-16(2)30-21-11-18(17-7-5-4-6-8-17)12-22(31)27(21)26(25)19-13-23-24(14-20(19)29)36-15-35-23/h4-8,13-14,18,26,30H,3,9-12,15H2,1-2H3InChIKey
XQNJTGVIKZTDHF-UHFFFAOYSA-NSynonyms
2ethoxyethyl4(6bromo13benzodioxol5yl)2methyl5oxo7phenyl145678hexahydroquinoline3carboxylate
2ethoxyethyl4(6bromo13benzodioxol5yl)2methyl5oxo7phenyl4678tetrahydro1Hquinoline3carboxylate
CCOCCOC(=O)C1=C(C)NC2=C(C1c1cc3OCOc3cc1Br)C(=O)CC(C2)c1ccccc1
CCOCCOC(=O)C1=C(NC2=C(C1C3=CC4=C(C=C3Br)OCO4)C(=O)CC(C2)C5=CC=CC=C5)C
InChI=1SC28H28BrNO6c13339103428(32)2516(2)30211118(177546817)1222(31)27(21)26(25)19132324(1420(19)29)36153523h481314182630H391215H212H3
MFCD01823920
STK061991
ZINC000002774622
ZINC000002774625
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