Vitas-M small molecule compound
ethyl 4-(3-hydroxyphenyl)-7,7-dimethyl-5-oxo-2-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STL181475
SMILES CCOC(=O)C1=C(NC2=C(C1c1cccc(c1)O)C(=O)CC(C2)(C)C)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 C26H27NO4 MW 417.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H27NO4/c1-4-31-25(30)23-21(17-11-8-12-18(28)13-17)22-19(14-26(2,3)15-20(22)29)27-24(23)16-9-6-5-7-10-16/h5-13,21,27-28H,4,14-15H2,1-3H3InChIKey
IDWPNOLPUJGYAY-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(NC2=C(C1C3=CC(=CC=C3)O)C(=O)CC(C2)(C)C)C4=CC=CC=C4
ethyl4(3hydroxyphenyl)77dimethyl5oxo2phenyl145678hexahydroquinoline3carboxylate
ethyl4(3hydroxyphenyl)77dimethyl5oxo2phenyl1468tetrahydroquinoline3carboxylate
InChI=1SC26H27NO4c143125(30)2321(171181218(28)1317)2219(1426(23)1520(22)29)2724(23)1696571016h513212728H41415H213H3
MFCD05992417
ZINC000002741174
ZINC000101127677
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