Vitas-M small molecule compound
methyl 4-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK363161
SMILES COC(=O)C1=C(C)NC2=C(C1c1cc(Br)c(c(c1)OC)O)C(=O)CC(C2)c1ccccc1
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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/c1-13-21(25(30)32-3)22(16-9-17(26)24(29)20(12-16)31-2)23-18(27-13)10-15(11-19(23)28)14-7-5-4-6-8-14/h4-9,12,15,22,27,29H,10-11H2,1-3H3InChIKey
NDBXXDZBQSWCQS-UHFFFAOYSA-NSynonyms
CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=CC=C3)C4=CC(=C(C(=C4)Br)O)OC)C(=O)OC
InChI=1SC25H24BrNO5c11321(25(30)323)22(16917(26)24(29)20(1216)312)2318(2713)1015(1119(23)28)147546814h491215222729H1011H213H3
methyl4(3bromo4hydroxy5methoxyphenyl)2methyl5oxo7phenyl145678hexahydroquinoline3carboxylate
methyl4(3bromo4hydroxy5methoxyphenyl)2methyl5oxo7phenyl4678tetrahydro1Hquinoline3carboxylate
MFCD00614959
ZINC000001004839
ZINC000019638220
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