Vitas-M small molecule compound

butan-2-yl 4-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

Catalog ID
STK050254
SMILES CCC(OC(=O)C1=C(C)NC2=C(C1c1cc(Br)c(c(c1)OC)O)C(=O)CC(C2)c1ccccc1)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 C28H30BrNO5 MW 540.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H30BrNO5/c1-5-15(2)35-28(33)24-16(3)30-21-12-18(17-9-7-6-8-10-17)13-22(31)26(21)25(24)19-11-20(29)27(32)23(14-19)34-4/h6-11,14-15,18,25,30,32H,5,12-13H2,1-4H3
InChIKey
NECKDIUOBMCBCN-UHFFFAOYSA-N
Synonyms

butan2yl4(3bromo4hydroxy5methoxyphenyl)2methyl5oxo7phenyl145678hexahydroquinoline3carboxylate
butan2yl4(3bromo4hydroxy5methoxyphenyl)2methyl5oxo7phenyl4678tetrahydro1Hquinoline3carboxylate
CCC(C)OC(=O)C1=C(NC2=C(C1C3=CC(=C(C(=C3)Br)O)OC)C(=O)CC(C2)C4=CC=CC=C4)C
CCC(OC(=O)C1=C(C)NC2=C(C1c1cc(Br)c(c(c1)OC)O)C(=O)CC(C2)c1ccccc1)C
InChI=1SC28H30BrNO5c1515(2)3528(33)2416(3)30211218(1797681017)1322(31)26(21)25(24)191120(29)27(32)23(1419)344h611141518253032H51213H214H3
MFCD01873720
STK050254
ZINC000002928389
ZINC000239164919

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.