Vitas-M small molecule compound
cyclopentyl 4-(6-bromo-1,3-benzodioxol-5-yl)-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK083944
SMILES O=C(C1=C(C)NC2=C(C1c1cc3OCOc3cc1Br)C(=O)CC(C2)c1ccccc1)OC1CCCC1
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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 C29H28BrNO5 MW 550.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H28BrNO5/c1-16-26(29(33)36-19-9-5-6-10-19)27(20-13-24-25(14-21(20)30)35-15-34-24)28-22(31-16)11-18(12-23(28)32)17-7-3-2-4-8-17/h2-4,7-8,13-14,18-19,27,31H,5-6,9-12,15H2,1H3InChIKey
PTZOLHBIXMMYEV-UHFFFAOYSA-NSynonyms
CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=CC=C3)C4=CC5=C(C=C4Br)OCO5)C(=O)OC6CCCC6
cyclopentyl4(6bromo13benzodioxol5yl)2methyl5oxo7phenyl145678hexahydroquinoline3carboxylate
cyclopentyl4(6bromo13benzodioxol5yl)2methyl5oxo7phenyl4678tetrahydro1Hquinoline3carboxylate
InChI=1SC29H28BrNO5c11626(29(33)36199561019)27(20132425(1421(20)30)35153424)2822(3116)1118(1223(28)32)177324817h2478131418192731H5691215H21H3
MFCD00771502
O=C(C1=C(C)NC2=C(C1c1cc3OCOc3cc1Br)C(=O)CC(C2)c1ccccc1)OC1CCCC1
STK083944
ZINC000100567840
ZINC000100567846
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