Vitas-M small molecule compound
propan-2-yl 4-(3-bromo-4-hydroxy-5-methoxyphenyl)-7-(4-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK363725
SMILES COc1ccc(cc1)C1CC2=C(C(=O)C1)C(C(=C(N2)C)C(=O)OC(C)C)c1cc(Br)c(c(c1)OC)O
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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 C28H30BrNO6 MW 556.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H30BrNO6/c1-14(2)36-28(33)24-15(3)30-21-11-17(16-6-8-19(34-4)9-7-16)12-22(31)26(21)25(24)18-10-20(29)27(32)23(13-18)35-5/h6-10,13-14,17,25,30,32H,11-12H2,1-5H3InChIKey
IMODBXUNSJNCNZ-UHFFFAOYSA-NSynonyms
CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=C(C=C3)OC)C4=CC(=C(C(=C4)Br)O)OC)C(=O)OC(C)C
InChI=1SC28H30BrNO6c114(2)3628(33)2415(3)30211117(166819(344)9716)1222(31)26(21)25(24)181020(29)27(32)23(1318)355h610131417253032H1112H215H3
MFCD01571663
propan2yl4(3bromo4hydroxy5methoxyphenyl)7(4methoxyphenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
propan2yl4(3bromo4hydroxy5methoxyphenyl)7(4methoxyphenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
ZINC000059844541
ZINC000059844549
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