Vitas-M small molecule compound
cyclohexyl 4-(2,4-dichlorophenyl)-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK080881
SMILES Clc1ccc(c(c1)Cl)C1C(=C(C)NC2=C1C(=O)CC(C2)c1ccccc1)C(=O)OC1CCCCC1
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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 C29H29Cl2NO3 MW 510.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H29Cl2NO3/c1-17-26(29(34)35-21-10-6-3-7-11-21)27(22-13-12-20(30)16-23(22)31)28-24(32-17)14-19(15-25(28)33)18-8-4-2-5-9-18/h2,4-5,8-9,12-13,16,19,21,27,32H,3,6-7,10-11,14-15H2,1H3InChIKey
JIKZQIGUGFJSML-UHFFFAOYSA-NSynonyms
CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=CC=C3)C4=C(C=C(C=C4)Cl)Cl)C(=O)OC5CCCCC5
Clc1ccc(c(c1)Cl)C1C(=C(C)NC2=C1C(=O)CC(C2)c1ccccc1)C(=O)OC1CCCCC1
cyclohexyl4(24dichlorophenyl)2methyl5oxo7phenyl145678hexahydroquinoline3carboxylate
cyclohexyl4(24dichlorophenyl)2methyl5oxo7phenyl4678tetrahydro1Hquinoline3carboxylate
InChI=1SC29H29Cl2NO3c11726(29(34)3521106371121)27(22131220(30)1623(22)31)2824(3217)1419(1525(28)33)188425918h2458912131619212732H36710111415H21H3
MFCD00771580
STK080881
ZINC000002801501
ZINC000002801504
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