Vitas-M small molecule compound
cyclopentyl 4-(2-bromophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK045570
SMILES O=C(C1=C(C)NC2=C(C1c1ccccc1Br)C(=O)CCC2)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 C22H24BrNO3 MW 430.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H24BrNO3/c1-13-19(22(26)27-14-7-2-3-8-14)20(15-9-4-5-10-16(15)23)21-17(24-13)11-6-12-18(21)25/h4-5,9-10,14,20,24H,2-3,6-8,11-12H2,1H3InChIKey
KETZDJSADRQYOD-UHFFFAOYSA-NSynonyms
CC1=C(C(C2=C(N1)CCCC2=O)C3=CC=CC=C3Br)C(=O)OC4CCCC4
cyclopentyl4(2bromophenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
cyclopentyl4(2bromophenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
InChI=1SC22H24BrNO3c11319(22(26)2714723814)20(159451016(15)23)2117(2413)1161218(21)25h45910142024H23681112H21H3
MFCD02633301
O=C(C1=C(C)NC2=C(C1c1ccccc1Br)C(=O)CCC2)OC1CCCC1
STK045570
ZINC000019772517
ZINC000019772519
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