Vitas-M small molecule compound
cyclohexyl 7-(4-chlorophenyl)-4-(3-hydroxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK065250
SMILES Oc1cccc(c1)C1C(=C(C)NC2=C1C(=O)CC(C2)c1ccc(cc1)Cl)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 C29H30ClNO4 MW 492.01 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H30ClNO4/c1-17-26(29(34)35-23-8-3-2-4-9-23)27(19-6-5-7-22(32)14-19)28-24(31-17)15-20(16-25(28)33)18-10-12-21(30)13-11-18/h5-7,10-14,20,23,27,31-32H,2-4,8-9,15-16H2,1H3InChIKey
CHDLRQNXTGFNAS-UHFFFAOYSA-NSynonyms
CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=C(C=C3)Cl)C4=CC(=CC=C4)O)C(=O)OC5CCCCC5
cyclohexyl7(4chlorophenyl)4(3hydroxyphenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
cyclohexyl7(4chlorophenyl)4(3hydroxyphenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
InChI=1SC29H30ClNO4c11726(29(34)35238324923)27(1965722(32)1419)2824(3117)1520(1625(28)33)18101221(30)131118h5710142023273132H24891516H21H3
MFCD01823977
Oc1cccc(c1)C1C(=C(C)NC2=C1C(=O)CC(C2)c1ccc(cc1)Cl)C(=O)OC1CCCCC1
STK065250
ZINC000002757728
ZINC000096482572
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