Vitas-M small molecule compound
propan-2-yl 7-(3,4-dimethoxyphenyl)-2-methyl-5-oxo-4-[2-(propan-2-yloxy)phenyl]-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK055063
SMILES COc1cc(ccc1OC)C1CC2=C(C(=O)C1)C(C(=C(N2)C)C(=O)OC(C)C)c1ccccc1OC(C)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 C31H37NO6 MW 519.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H37NO6/c1-17(2)37-25-11-9-8-10-22(25)29-28(31(34)38-18(3)4)19(5)32-23-14-21(15-24(33)30(23)29)20-12-13-26(35-6)27(16-20)36-7/h8-13,16-18,21,29,32H,14-15H2,1-7H3InChIKey
NMKLHNULNAUQMP-UHFFFAOYSA-NSynonyms
CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC(=C(C=C3)OC)OC)C4=CC=CC=C4OC(C)C)C(=O)OC(C)C
COc1cc(ccc1OC)C1CC2=C(C(=O)C1)C(C(=C(N2)C)C(=O)OC(C)C)c1ccccc1OC(C)C
InChI=1SC31H37NO6c117(2)372511981022(25)2928(31(34)3818(3)4)19(5)32231421(1524(33)30(23)29)20121326(356)27(1620)367h8131618212932H1415H217H3
MFCD02224269
propan2yl7(34dimethoxyphenyl)2methyl5oxo4(2(propan2yloxy)phenyl)145678hexahydroquinoline3carboxylate
propan2yl7(34dimethoxyphenyl)2methyl5oxo4(2propan2yloxyphenyl)4678tetrahydro1Hquinoline3carboxylate
STK055063
ZINC000000647870
ZINC000000679282
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