Vitas-M small molecule compound
cyclohexyl 4-[4-(benzyloxy)-3-methoxyphenyl]-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK022180
SMILES COc1cc(ccc1OCc1ccccc1)C1C(=C(C)NC2=C1C(=O)CCC2)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 C31H35NO5 MW 501.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H35NO5/c1-20-28(31(34)37-23-12-7-4-8-13-23)29(30-24(32-20)14-9-15-25(30)33)22-16-17-26(27(18-22)35-2)36-19-21-10-5-3-6-11-21/h3,5-6,10-11,16-18,23,29,32H,4,7-9,12-15,19H2,1-2H3InChIKey
KWDONRYEYRDLJT-UHFFFAOYSA-NSynonyms
CC1=C(C(C2=C(N1)CCCC2=O)C3=CC(=C(C=C3)OCC4=CC=CC=C4)OC)C(=O)OC5CCCCC5
COc1cc(ccc1OCc1ccccc1)C1C(=C(C)NC2=C1C(=O)CCC2)C(=O)OC1CCCCC1
cyclohexyl4(3methoxy4phenylmethoxyphenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
cyclohexyl4(4(benzyloxy)3methoxyphenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
InChI=1SC31H35NO5c12028(31(34)3723127481323)29(3024(3220)1491525(30)33)22161726(27(1822)352)361921105361121h35610111618232932H479121519H212H3
MFCD00753368
STK022180
ZINC000002055465
ZINC000002055466
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