Vitas-M small molecule compound
ethyl 4-[4-(acetyloxy)phenyl]-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK368294
SMILES CCOC(=O)C1=C(C)NC2=C(C1c1ccc(cc1)OC(=O)C)C(=O)CC(C2)(C)C
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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 C23H27NO5 MW 397.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H27NO5/c1-6-28-22(27)19-13(2)24-17-11-23(4,5)12-18(26)21(17)20(19)15-7-9-16(10-8-15)29-14(3)25/h7-10,20,24H,6,11-12H2,1-5H3InChIKey
YIABHNSQNUSSHQ-UHFFFAOYSA-NSynonyms
293764-03-1293764031
CCOC(=O)C1=C(NC2=C(C1C3=CC=C(C=C3)OC(=O)C)C(=O)CC(C2)(C)C)C
ethyl4(4(acetyloxy)phenyl)277trimethyl5oxo145678hexahydroquinoline3carboxylate
ethyl4(4acetoxyphenyl)277trimethyl5oxo145678hexahydroquinoline3carboxylate
ethyl4(4acetyloxyphenyl)277trimethyl5oxo1468tetrahydroquinoline3carboxylate
InChI=1SC23H27NO5c162822(27)1913(2)24171123(45)1218(26)21(17)20(19)157916(10815)2914(3)25h7102024H61112H215H3
MFCD00347001
ZINC000100505537
ZINC000100505539
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