Vitas-M small molecule compound
methyl 4-(1,3-benzodioxol-5-yl)-7-(3,4-dimethoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK077197
SMILES COC(=O)C1=C(C)NC2=C(C1c1ccc3c(c1)OCO3)C(=O)CC(C2)c1ccc(c(c1)OC)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 C27H27NO7 MW 477.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H27NO7/c1-14-24(27(30)33-4)25(16-6-8-21-23(12-16)35-13-34-21)26-18(28-14)9-17(10-19(26)29)15-5-7-20(31-2)22(11-15)32-3/h5-8,11-12,17,25,28H,9-10,13H2,1-4H3InChIKey
ZACANYVGOMUDRH-UHFFFAOYSA-NSynonyms
CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC(=C(C=C3)OC)OC)C4=CC5=C(C=C4)OCO5)C(=O)OC
COC(=O)C1=C(C)NC2=C(C1c1ccc3c(c1)OCO3)C(=O)CC(C2)c1ccc(c(c1)OC)OC
InChI=1SC27H27NO7c11424(27(30)334)25(16682123(1216)35133421)2618(2814)917(1019(26)29)155720(312)22(1115)323h581112172528H91013H214H3
methyl4(13benzodioxol5yl)7(34dimethoxyphenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
methyl4(13benzodioxol5yl)7(34dimethoxyphenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
MFCD02040619
STK077197
ZINC000000709623
ZINC000000709626
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