Vitas-M small molecule compound
butyl 4-(6-bromo-1,3-benzodioxol-5-yl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK371126
SMILES CCCCOC(=O)C1=C(C)NC2=C(C1c1cc3OCOc3cc1Br)C(=O)CC(C2)(C)C
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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 C24H28BrNO5 MW 490.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H28BrNO5/c1-5-6-7-29-23(28)20-13(2)26-16-10-24(3,4)11-17(27)22(16)21(20)14-8-18-19(9-15(14)25)31-12-30-18/h8-9,21,26H,5-7,10-12H2,1-4H3InChIKey
DWWYDVCEHIBOHL-UHFFFAOYSA-NSynonyms
296262-84-5296262845
butyl4(6bromo13benzodioxol5yl)277trimethyl5oxo145678hexahydroquinoline3carboxylate
butyl4(6bromo13benzodioxol5yl)277trimethyl5oxo1468tetrahydroquinoline3carboxylate
CCCCOC(=O)C1=C(NC2=C(C1C3=CC4=C(C=C3Br)OCO4)C(=O)CC(C2)(C)C)C
InChI=1SC24H28BrNO5c15672923(28)2013(2)26161024(34)1117(27)22(16)21(20)1481819(915(14)25)31123018h892126H571012H214H3
MFCD00325680
ZINC000002795861
ZINC000002795862
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