Vitas-M small molecule compound
butyl 4-(2-bromo-4,5-dimethoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK376775
SMILES CCCCOC(=O)C1=C(C)NC2=C(C1c1cc(OC)c(cc1Br)OC)C(=O)CCC2
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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 C23H28BrNO5 MW 478.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H28BrNO5/c1-5-6-10-30-23(27)20-13(2)25-16-8-7-9-17(26)22(16)21(20)14-11-18(28-3)19(29-4)12-15(14)24/h11-12,21,25H,5-10H2,1-4H3InChIKey
XUEFPOMCGWXAFA-UHFFFAOYSA-NSynonyms
butyl4(2bromo45dimethoxyphenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
butyl4(2bromo45dimethoxyphenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
CCCCOC(=O)C1=C(NC2=C(C1C3=CC(=C(C=C3Br)OC)OC)C(=O)CCC2)C
InChI=1SC23H28BrNO5c156103023(27)2013(2)251687917(26)22(16)21(20)141118(283)19(294)1215(14)24h11122125H510H214H3
MFCD01367208
ZINC000002095279
ZINC000002095283
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