Vitas-M small molecule compound
benzyl 4-(1,3-benzodioxol-5-yl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK372438
SMILES O=C(C1=C(C)NC2=C(C1c1ccc3c(c1)OCO3)C(=O)CCC2)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 C25H23NO5 MW 417.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H23NO5/c1-15-22(25(28)29-13-16-6-3-2-4-7-16)23(24-18(26-15)8-5-9-19(24)27)17-10-11-20-21(12-17)31-14-30-20/h2-4,6-7,10-12,23,26H,5,8-9,13-14H2,1H3InChIKey
QOTIIPXSRFIXCT-UHFFFAOYSA-NSynonyms
134021-33-3134021333
benzyl4(13benzodioxol5yl)2methyl5oxo145678hexahydroquinoline3carboxylate
benzyl4(13benzodioxol5yl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
CC1=C(C(C2=C(N1)CCCC2=O)C3=CC4=C(C=C3)OCO4)C(=O)OCC5=CC=CC=C5
InChI=1SC25H23NO5c11522(25(28)2913166324716)23(2418(2615)85919(24)27)1710112021(1217)31143020h246710122326H5891314H21H3
MFCD00771218
ZINC000019818130
ZINC000019818132
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