Vitas-M small molecule compound

cyclopentyl 4-(3-bromo-4-fluorophenyl)-7-(2-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

Catalog ID
STK402941
SMILES COc1ccccc1C1CC(=O)C2=C(C1)NC(=C(C2c1ccc(c(c1)Br)F)C(=O)OC1CCCC1)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 C29H29BrFNO4 MW 554.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H29BrFNO4/c1-16-26(29(34)36-19-7-3-4-8-19)27(17-11-12-22(31)21(30)13-17)28-23(32-16)14-18(15-24(28)33)20-9-5-6-10-25(20)35-2/h5-6,9-13,18-19,27,32H,3-4,7-8,14-15H2,1-2H3
InChIKey
IGQAMDKJPLQAEO-UHFFFAOYSA-N
Synonyms

CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=CC=C3OC)C4=CC(=C(C=C4)F)Br)C(=O)OC5CCCC5
cyclopentyl4(3bromo4fluorophenyl)7(2methoxyphenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
cyclopentyl4(3bromo4fluorophenyl)7(2methoxyphenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
InChI=1SC29H29BrFNO4c11626(29(34)3619734819)27(17111222(31)21(30)1317)2823(3216)1418(1524(28)33)209561025(20)352h5691318192732H34781415H212H3
MFCD03370970
ZINC000002792865
ZINC000002792868

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Available files

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