Vitas-M small molecule compound
2-(propan-2-yloxy)ethyl 4-(3-hydroxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK006290
SMILES CC(OCCOC(=O)C1=C(C)NC2=C(C1c1cccc(c1)O)C(=O)CCC2)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 C22H27NO5 MW 385.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H27NO5/c1-13(2)27-10-11-28-22(26)19-14(3)23-17-8-5-9-18(25)21(17)20(19)15-6-4-7-16(24)12-15/h4,6-7,12-13,20,23-24H,5,8-11H2,1-3H3InChIKey
DKGHMGMKMJCCEB-UHFFFAOYSA-NSynonyms
2(propan2yloxy)ethyl4(3hydroxyphenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
2propan2yloxyethyl4(3hydroxyphenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
CC(OCCOC(=O)C1=C(C)NC2=C(C1c1cccc(c1)O)C(=O)CCC2)C
CC1=C(C(C2=C(N1)CCCC2=O)C3=CC(=CC=C3)O)C(=O)OCCOC(C)C
InChI=1SC22H27NO5c113(2)2710112822(26)1914(3)231785918(25)21(17)20(19)1564716(24)1215h4671213202324H5811H213H3
MFCD01825231
STK006290
ZINC000018116982
ZINC000095531881
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