Vitas-M small molecule compound
ethyl 2-methyl-4-[4-(morpholin-4-ylmethyl)thiophen-2-yl]-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK781265
SMILES CCOC(=O)C1=C(C)NC2=C(C1c1scc(c1)CN1CCOCC1)C(=O)CCC2
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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 C22H28N2O4S MW 416.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H28N2O4S/c1-3-28-22(26)19-14(2)23-16-5-4-6-17(25)20(16)21(19)18-11-15(13-29-18)12-24-7-9-27-10-8-24/h11,13,21,23H,3-10,12H2,1-2H3InChIKey
JLTJFPDWYMIQJX-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(NC2=C(C1C3=CC(=CS3)CN4CCOCC4)C(=O)CCC2)C
ethyl2methyl4(4(morpholin4ylmethyl)thiophen2yl)5oxo145678hexahydroquinoline3carboxylate
ethyl2methyl4(4(morpholin4ylmethyl)thiophen2yl)5oxo4678tetrahydro1Hquinoline3carboxylate
InChI=1SC22H28N2O4Sc132822(26)1914(2)231654617(25)20(16)21(19)181115(132918)1224792710824h11132123H31012H212H3
MFCD06014775
ZINC000019874543
ZINC000019874545
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