Vitas-M small molecule compound
cyclohexyl 4-(3-chloro-4-hydroxy-5-methoxyphenyl)-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK363604
SMILES COc1cc(cc(c1O)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 C30H32ClNO5 MW 522.04 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H32ClNO5/c1-17-26(30(35)37-21-11-7-4-8-12-21)27(20-13-22(31)29(34)25(16-20)36-2)28-23(32-17)14-19(15-24(28)33)18-9-5-3-6-10-18/h3,5-6,9-10,13,16,19,21,27,32,34H,4,7-8,11-12,14-15H2,1-2H3InChIKey
OSUWSLKXPZXDPE-UHFFFAOYSA-NSynonyms
CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=CC=C3)C4=CC(=C(C(=C4)Cl)O)OC)C(=O)OC5CCCCC5
cyclohexyl4(3chloro4hydroxy5methoxyphenyl)2methyl5oxo7phenyl145678hexahydroquinoline3carboxylate
cyclohexyl4(3chloro4hydroxy5methoxyphenyl)2methyl5oxo7phenyl4678tetrahydro1Hquinoline3carboxylate
InChI=1SC30H32ClNO5c11726(30(35)3721117481221)27(201322(31)29(34)25(1620)362)2823(3217)1419(1524(28)33)1895361018h35691013161921273234H47811121415H212H3
MFCD00771563
ZINC000000666911
ZINC000000666922
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