Vitas-M small molecule compound
butan-2-yl 7-(4-methoxyphenyl)-2-methyl-4-(naphthalen-1-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK092975
SMILES CCC(OC(=O)C1=C(C)NC2=C(C1c1cccc3c1cccc3)C(=O)CC(C2)c1ccc(cc1)OC)C
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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 C32H33NO4 MW 495.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H33NO4/c1-5-19(2)37-32(35)29-20(3)33-27-17-23(21-13-15-24(36-4)16-14-21)18-28(34)31(27)30(29)26-12-8-10-22-9-6-7-11-25(22)26/h6-16,19,23,30,33H,5,17-18H2,1-4H3InChIKey
OSYCOFVSIRMMKT-UHFFFAOYSA-NSynonyms
butan2yl7(4methoxyphenyl)2methyl4(naphthalen1yl)5oxo145678hexahydroquinoline3carboxylate
butan2yl7(4methoxyphenyl)2methyl4naphthalen1yl5oxo4678tetrahydro1Hquinoline3carboxylate
CCC(C)OC(=O)C1=C(NC2=C(C1C3=CC=CC4=CC=CC=C43)C(=O)CC(C2)C5=CC=C(C=C5)OC)C
CCC(OC(=O)C1=C(C)NC2=C(C1c1cccc3c1cccc3)C(=O)CC(C2)c1ccc(cc1)OC)C
InChI=1SC32H33NO4c1519(2)3732(35)2920(3)33271723(21131524(364)161421)1828(34)31(27)30(29)2612810229671125(22)26h61619233033H51718H214H3
MFCD01528060
STK092975
ZINC000002758336
ZINC000035973825
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