Vitas-M small molecule compound
butyl 4-(4-bromophenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK372292
SMILES CCCCOC(=O)C1=C(C)NC2=C(C1c1ccc(cc1)Br)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 C23H28BrNO3 MW 446.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H28BrNO3/c1-5-6-11-28-22(27)19-14(2)25-17-12-23(3,4)13-18(26)21(17)20(19)15-7-9-16(24)10-8-15/h7-10,20,25H,5-6,11-13H2,1-4H3InChIKey
UCDDJSZWJIRBHU-UHFFFAOYSA-NSynonyms
butyl4(4bromophenyl)277trimethyl5oxo145678hexahydroquinoline3carboxylate
butyl4(4bromophenyl)277trimethyl5oxo1468tetrahydroquinoline3carboxylate
CCCCOC(=O)C1=C(NC2=C(C1C3=CC=C(C=C3)Br)C(=O)CC(C2)(C)C)C
InChI=1SC23H28BrNO3c156112822(27)1914(2)25171223(34)1318(26)21(17)20(19)157916(24)10815h7102025H561113H214H3
MFCD00627204
ZINC000003014376
ZINC000003014378
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