Vitas-M small molecule compound
cyclopentyl 4-(6-bromo-1,3-benzodioxol-5-yl)-7-(4-chlorophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK007328
SMILES Clc1ccc(cc1)C1CC(=O)C2=C(C1)NC(=C(C2c1cc2OCOc2cc1Br)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 C29H27BrClNO5 MW 584.89 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H27BrClNO5/c1-15-26(29(34)37-19-4-2-3-5-19)27(20-12-24-25(13-21(20)30)36-14-35-24)28-22(32-15)10-17(11-23(28)33)16-6-8-18(31)9-7-16/h6-9,12-13,17,19,27,32H,2-5,10-11,14H2,1H3InChIKey
MICVDDFWFDVODX-UHFFFAOYSA-NSynonyms
CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=C(C=C3)Cl)C4=CC5=C(C=C4Br)OCO5)C(=O)OC6CCCC6
Clc1ccc(cc1)C1CC(=O)C2=C(C1)NC(=C(C2c1cc2OCOc2cc1Br)C(=O)OC1CCCC1)C
cyclopentyl4(6bromo13benzodioxol5yl)7(4chlorophenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
cyclopentyl4(6bromo13benzodioxol5yl)7(4chlorophenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
InChI=1SC29H27BrClNO5c11526(29(34)3719423519)27(20122425(1321(20)30)36143524)2822(3215)1017(1123(28)33)166818(31)9716h69121317192732H25101114H21H3
MFCD01824421
STK007328
ZINC000002925722
ZINC000002925734
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