Vitas-M small molecule compound
cyclopentyl 7-(4-chlorophenyl)-4-(3-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK057223
SMILES COc1cccc(c1)C1C2=C(CC(CC2=O)c2ccc(cc2)Cl)NC(=C1C(=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 C29H30ClNO4 MW 492.01 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H30ClNO4/c1-17-26(29(33)35-22-7-3-4-8-22)27(19-6-5-9-23(14-19)34-2)28-24(31-17)15-20(16-25(28)32)18-10-12-21(30)13-11-18/h5-6,9-14,20,22,27,31H,3-4,7-8,15-16H2,1-2H3InChIKey
XWGUQDPBSHLKEI-UHFFFAOYSA-NSynonyms
304451-77-2304451772
CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=C(C=C3)Cl)C4=CC(=CC=C4)OC)C(=O)OC5CCCC5
COc1cccc(c1)C1C2=C(CC(CC2=O)c2ccc(cc2)Cl)NC(=C1C(=O)OC1CCCC1)C
cyclopentyl7(4chlorophenyl)4(3methoxyphenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
cyclopentyl7(4chlorophenyl)4(3methoxyphenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
InChI=1SC29H30ClNO4c11726(29(33)3522734822)27(1965923(1419)342)2824(3117)1520(1625(28)32)18101221(30)131118h5691420222731H34781516H212H3
MFCD01824298
STK057223
ZINC000001204485
ZINC000001204494
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