Vitas-M small molecule compound
benzyl 4-(1,3-benzodioxol-5-yl)-7-(furan-2-yl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK406086
SMILES O=C(C1=C(C)NC2=C(C1c1ccc3c(c1)OCO3)C(=O)CC(C2)c1ccco1)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 C29H25NO6 MW 483.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H25NO6/c1-17-26(29(32)34-15-18-6-3-2-4-7-18)27(19-9-10-24-25(14-19)36-16-35-24)28-21(30-17)12-20(13-22(28)31)23-8-5-11-33-23/h2-11,14,20,27,30H,12-13,15-16H2,1H3InChIKey
XUUHUZHEKIAJOS-UHFFFAOYSA-NSynonyms
benzyl4(13benzodioxol5yl)7(furan2yl)2methyl5oxo145678hexahydroquinoline3carboxylate
benzyl4(13benzodioxol5yl)7(furan2yl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=CO3)C4=CC5=C(C=C4)OCO5)C(=O)OCC6=CC=CC=C6
InChI=1SC29H25NO6c11726(29(32)3415186324718)27(199102425(1419)36163524)2821(3017)1220(1322(28)31)2385113323h21114202730H12131516H21H3
MFCD04215929
ZINC000002844357
ZINC000002844360
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