Vitas-M small molecule compound
propan-2-yl 4-(3-bromo-4-hydroxy-5-methoxyphenyl)-7-(2-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK403120
SMILES COc1ccccc1C1CC2=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)30-20-11-16(18-8-6-7-9-22(18)34-4)12-21(31)26(20)25(24)17-10-19(29)27(32)23(13-17)35-5/h6-10,13-14,16,25,30,32H,11-12H2,1-5H3InChIKey
IVCDTBWXYJVTEU-UHFFFAOYSA-NSynonyms
CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=CC=C3OC)C4=CC(=C(C(=C4)Br)O)OC)C(=O)OC(C)C
InChI=1SC28H30BrNO6c114(2)3628(33)2415(3)30201116(18867922(18)344)1221(31)26(20)25(24)171019(29)27(32)23(1317)355h610131416253032H1112H215H3
MFCD03371094
propan2yl4(3bromo4hydroxy5methoxyphenyl)7(2methoxyphenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
propan2yl4(3bromo4hydroxy5methoxyphenyl)7(2methoxyphenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
ZINC000001438877
ZINC000001438880
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