Vitas-M small molecule compound
pentyl 4-(3-bromo-4-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK363429
SMILES CCCCCOC(=O)C1=C(C)NC2=C(C1c1ccc(c(c1)Br)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 C23H28BrNO4 MW 462.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H28BrNO4/c1-4-5-6-12-29-23(27)20-14(2)25-17-8-7-9-18(26)22(17)21(20)15-10-11-19(28-3)16(24)13-15/h10-11,13,21,25H,4-9,12H2,1-3H3InChIKey
JFRZMYLSGWQQCQ-UHFFFAOYSA-NSynonyms
CCCCCOC(=O)C1=C(NC2=C(C1C3=CC(=C(C=C3)OC)Br)C(=O)CCC2)C
InChI=1SC23H28BrNO4c1456122923(27)2014(2)251787918(26)22(17)21(20)15101119(283)16(24)1315h1011132125H4912H213H3
MFCD00753340
pentyl4(3bromo4methoxyphenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
pentyl4(3bromo4methoxyphenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
ZINC000002055435
ZINC000002055436
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