Vitas-M small molecule compound
2-methylpropyl 4-(3-bromophenyl)-7-(4-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK079653
SMILES COc1ccc(cc1)C1CC(=O)C2=C(C1)NC(=C(C2c1cccc(c1)Br)C(=O)OCC(C)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)30-23-13-20(18-8-10-22(33-4)11-9-18)14-24(31)27(23)26(25)19-6-5-7-21(29)12-19/h5-12,16,20,26,30H,13-15H2,1-4H3InChIKey
RZSFUNNIDRURSS-UHFFFAOYSA-NSynonyms
5707-36-82methylpropyl4(3bromophenyl)7(4methoxyphenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
2methylpropyl4(3bromophenyl)7(4methoxyphenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
5707368
CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=C(C=C3)OC)C4=CC(=CC=C4)Br)C(=O)OCC(C)C
COc1ccc(cc1)C1CC(=O)C2=C(C1)NC(=C(C2c1cccc(c1)Br)C(=O)OCC(C)C)C
InChI=1SC28H30BrNO4c116(2)153428(32)2517(3)30231320(1881022(334)11918)1424(31)27(23)26(25)1965721(29)1219h51216202630H1315H214H3
MFCD01826859
STK079653
ZINC000000861456
ZINC000000861459
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