Vitas-M small molecule compound
ethyl 4-(1,3-benzodioxol-5-yl)-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK016175
SMILES CCOC(=O)C1=C(C)NC2=C(C1c1ccc3c(c1)OCO3)C(=O)CC(C2)c1ccccc1
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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 C26H25NO5 MW 431.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H25NO5/c1-3-30-26(29)23-15(2)27-19-11-18(16-7-5-4-6-8-16)12-20(28)25(19)24(23)17-9-10-21-22(13-17)32-14-31-21/h4-10,13,18,24,27H,3,11-12,14H2,1-2H3InChIKey
RVBRCTZLHOTVHC-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(C)NC2=C(C1c1ccc3c(c1)OCO3)C(=O)CC(C2)c1ccccc1
CCOC(=O)C1=C(NC2=C(C1C3=CC4=C(C=C3)OCO4)C(=O)CC(C2)C5=CC=CC=C5)C
ethyl4(13benzodioxol5yl)2methyl5oxo7phenyl145678hexahydroquinoline3carboxylate
ethyl4(13benzodioxol5yl)2methyl5oxo7phenyl4678tetrahydro1Hquinoline3carboxylate
InChI=1SC26H25NO5c133026(29)2315(2)27191118(167546816)1220(28)25(19)24(23)179102122(1317)32143121h41013182427H3111214H212H3
MFCD00614936
STK016175
ZINC000019880542
ZINC000019880550
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