Vitas-M small molecule compound
benzyl 4-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK071552
SMILES COc1cc(cc(c1O)Br)C1C(=C(C)NC2=C1C(=O)CCC2)C(=O)OCc1ccccc1
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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 C25H24BrNO5 MW 498.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H24BrNO5/c1-14-21(25(30)32-13-15-7-4-3-5-8-15)22(23-18(27-14)9-6-10-19(23)28)16-11-17(26)24(29)20(12-16)31-2/h3-5,7-8,11-12,22,27,29H,6,9-10,13H2,1-2H3InChIKey
KEBUZUGVUCPRMP-UHFFFAOYSA-NSynonyms
benzyl4(3bromo4hydroxy5methoxyphenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
benzyl4(3bromo4hydroxy5methoxyphenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
CC1=C(C(C2=C(N1)CCCC2=O)C3=CC(=C(C(=C3)Br)O)OC)C(=O)OCC4=CC=CC=C4
COc1cc(cc(c1O)Br)C1C(=C(C)NC2=C1C(=O)CCC2)C(=O)OCc1ccccc1
InChI=1SC25H24BrNO5c11421(25(30)3213157435815)22(2318(2714)961019(23)28)161117(26)24(29)20(1216)312h35781112222729H691013H212H3
MFCD00753264
STK071552
ZINC000019536337
ZINC000019536340
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