Vitas-M small molecule compound
ethyl 2-methyl-4-(5-methylfuran-2-yl)-5-oxo-7-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK701224
SMILES CCOC(=O)C1=C(C)NC2=C(C1c1ccc(o1)C)C(=O)CC(C2)c1cccs1
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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 C22H23NO4S MW 397.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H23NO4S/c1-4-26-22(25)19-13(3)23-15-10-14(18-6-5-9-28-18)11-16(24)20(15)21(19)17-8-7-12(2)27-17/h5-9,14,21,23H,4,10-11H2,1-3H3InChIKey
VXYBIPPBUMGPBO-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(NC2=C(C1C3=CC=C(O3)C)C(=O)CC(C2)C4=CC=CS4)C
ethyl2methyl4(5methylfuran2yl)5oxo7(thiophen2yl)145678hexahydroquinoline3carboxylate
ethyl2methyl4(5methylfuran2yl)5oxo7thiophen2yl4678tetrahydro1Hquinoline3carboxylate
InChI=1SC22H23NO4Sc142622(25)1913(3)23151014(186592818)1116(24)20(15)21(19)178712(2)2717h59142123H41011H213H3
MFCD02868496
ZINC000019972786
ZINC000019972789
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