Vitas-M small molecule compound
pentyl 4-(2,5-dimethoxyphenyl)-7-(4-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK078381
SMILES CCCCCOC(=O)C1=C(C)NC2=C(C1c1cc(OC)ccc1OC)C(=O)CC(C2)c1ccc(cc1)OC
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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 C31H37NO6 MW 519.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H37NO6/c1-6-7-8-15-38-31(34)28-19(2)32-25-16-21(20-9-11-22(35-3)12-10-20)17-26(33)30(25)29(28)24-18-23(36-4)13-14-27(24)37-5/h9-14,18,21,29,32H,6-8,15-17H2,1-5H3InChIKey
IQBDCZVYOUGHRP-UHFFFAOYSA-NSynonyms
CCCCCOC(=O)C1=C(C)NC2=C(C1c1cc(OC)ccc1OC)C(=O)CC(C2)c1ccc(cc1)OC
CCCCCOC(=O)C1=C(NC2=C(C1C3=C(C=CC(=C3)OC)OC)C(=O)CC(C2)C4=CC=C(C=C4)OC)C
InChI=1SC31H37NO6c1678153831(34)2819(2)32251621(2091122(353)121020)1726(33)30(25)29(28)241823(364)131427(24)375h91418212932H681517H215H3
MFCD01571469
pentyl4(25dimethoxyphenyl)7(4methoxyphenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
pentyl4(25dimethoxyphenyl)7(4methoxyphenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
STK078381
ZINC000002185567
ZINC000002185570
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