Vitas-M small molecule compound
benzyl 4-[3-(benzyloxy)-4-methoxyphenyl]-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK000105
SMILES COc1ccc(cc1OCc1ccccc1)C1C(=C(C)NC2=C1C(=O)CCC2)C(=O)OCc1ccccc1
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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 C32H31NO5 MW 509.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H31NO5/c1-21-29(32(35)38-20-23-12-7-4-8-13-23)30(31-25(33-21)14-9-15-26(31)34)24-16-17-27(36-2)28(18-24)37-19-22-10-5-3-6-11-22/h3-8,10-13,16-18,30,33H,9,14-15,19-20H2,1-2H3InChIKey
PEFOWGYDADZLGA-UHFFFAOYSA-NSynonyms
benzyl4(3(benzyloxy)4methoxyphenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
benzyl4(4methoxy3phenylmethoxyphenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
CC1=C(C(C2=C(N1)CCCC2=O)C3=CC(=C(C=C3)OC)OCC4=CC=CC=C4)C(=O)OCC5=CC=CC=C5
COc1ccc(cc1OCc1ccccc1)C1C(=C(C)NC2=C1C(=O)CCC2)C(=O)OCc1ccccc1
InChI=1SC32H31NO5c12129(32(35)382023127481323)30(3125(3321)1491526(31)34)24161727(362)28(1824)371922105361122h38101316183033H914151920H212H3
MFCD02188573
STK000105
ZINC000001213250
ZINC000001213255
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