Vitas-M small molecule compound
cyclohexyl 4-[4-(benzyloxy)-3-methoxyphenyl]-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STL170438
SMILES COc1cc(ccc1OCc1ccccc1)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 C37H39NO5 MW 577.72 g/mol Purity >90% as per NMR
InChI
InChI=1S/C37H39NO5/c1-24-34(37(40)43-29-16-10-5-11-17-29)35(36-30(38-24)20-28(21-31(36)39)26-14-8-4-9-15-26)27-18-19-32(33(22-27)41-2)42-23-25-12-6-3-7-13-25/h3-4,6-9,12-15,18-19,22,28-29,35,38H,5,10-11,16-17,20-21,23H2,1-2H3InChIKey
KKZAKDTYQJJVEZ-UHFFFAOYSA-NSynonyms
CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=CC=C3)C4=CC(=C(C=C4)OCC5=CC=CC=C5)OC)C(=O)OC6CCCCC6
cyclohexyl4(3methoxy4phenylmethoxyphenyl)2methyl5oxo7phenyl4678tetrahydro1Hquinoline3carboxylate
cyclohexyl4(4(benzyloxy)3methoxyphenyl)2methyl5oxo7phenyl145678hexahydroquinoline3carboxylate
InChI=1SC37H39NO5c12434(37(40)432916105111729)35(3630(3824)2028(2131(36)39)26148491526)27181932(33(2227)412)422325126371325h3469121518192228293538H510111617202123H212H3
MFCD00771570
ZINC000002092061
ZINC000002092083
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