Vitas-M small molecule compound
cyclohexyl 4-[2-(benzyloxy)phenyl]-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK047116
SMILES O=C(C1=C(C)NC2=C(C1c1ccccc1OCc1ccccc1)C(=O)CC(C2)c1ccccc1)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 C36H37NO4 MW 547.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C36H37NO4/c1-24-33(36(39)41-28-17-9-4-10-18-28)34(29-19-11-12-20-32(29)40-23-25-13-5-2-6-14-25)35-30(37-24)21-27(22-31(35)38)26-15-7-3-8-16-26/h2-3,5-8,11-16,19-20,27-28,34,37H,4,9-10,17-18,21-23H2,1H3InChIKey
TVGZQZUTEBAWHO-UHFFFAOYSA-NSynonyms
CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=CC=C3)C4=CC=CC=C4OCC5=CC=CC=C5)C(=O)OC6CCCCC6
cyclohexyl2methyl5oxo7phenyl4(2phenylmethoxyphenyl)4678tetrahydro1Hquinoline3carboxylate
cyclohexyl4(2(benzyloxy)phenyl)2methyl5oxo7phenyl145678hexahydroquinoline3carboxylate
InChI=1SC36H37NO4c12433(36(39)41281794101828)34(291911122032(29)402325135261425)3530(3724)2127(2231(35)38)26157381626h23581116192027283437H491017182123H21H3
MFCD00771547
O=C(C1=C(C)NC2=C(C1c1ccccc1OCc1ccccc1)C(=O)CC(C2)c1ccccc1)OC1CCCCC1
STK047116
ZINC000002757741
ZINC000002757744
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