Vitas-M small molecule compound
2-methylpropyl 4-(3-bromo-4-methoxyphenyl)-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK059637
SMILES COc1ccc(cc1Br)C1C(=C(C)NC2=C1C(=O)CC(C2)c1ccccc1)C(=O)OCC(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 C28H30BrNO4 MW 524.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H30BrNO4/c1-16(2)15-34-28(32)25-17(3)30-22-13-20(18-8-6-5-7-9-18)14-23(31)27(22)26(25)19-10-11-24(33-4)21(29)12-19/h5-12,16,20,26,30H,13-15H2,1-4H3InChIKey
KQOWMLIMJYONIQ-UHFFFAOYSA-NSynonyms
312587-59-02methylpropyl4(3bromo4methoxyphenyl)2methyl5oxo7phenyl145678hexahydroquinoline3carboxylate
2methylpropyl4(3bromo4methoxyphenyl)2methyl5oxo7phenyl4678tetrahydro1Hquinoline3carboxylate
312587590
CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=CC=C3)C4=CC(=C(C=C4)OC)Br)C(=O)OCC(C)C
COc1ccc(cc1Br)C1C(=C(C)NC2=C1C(=O)CC(C2)c1ccccc1)C(=O)OCC(C)C
InChI=1SC28H30BrNO4c116(2)153428(32)2517(3)30221320(188657918)1423(31)27(22)26(25)19101124(334)21(29)1219h51216202630H1315H214H3
MFCD01823973
STK059637
ZINC000000861326
ZINC000000861329
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