Vitas-M small molecule compound
2-ethoxyethyl 4-(5-bromo-2-fluorophenyl)-2-methyl-5-oxo-7-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK402881
SMILES CCOCCOC(=O)C1=C(C)NC2=C(C1c1cc(Br)ccc1F)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 C25H25BrFNO4S MW 534.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H25BrFNO4S/c1-3-31-8-9-32-25(30)22-14(2)28-19-11-15(21-5-4-10-33-21)12-20(29)24(19)23(22)17-13-16(26)6-7-18(17)27/h4-7,10,13,15,23,28H,3,8-9,11-12H2,1-2H3InChIKey
NPWUEJYBQISPDZ-UHFFFAOYSA-NSynonyms
2ethoxyethyl4(5bromo2fluorophenyl)2methyl5oxo7(thiophen2yl)145678hexahydroquinoline3carboxylate
2ethoxyethyl4(5bromo2fluorophenyl)2methyl5oxo7thiophen2yl4678tetrahydro1Hquinoline3carboxylate
CCOCCOC(=O)C1=C(NC2=C(C1C3=C(C=CC(=C3)Br)F)C(=O)CC(C2)C4=CC=CS4)C
InChI=1SC25H25BrFNO4Sc1331893225(30)2214(2)28191115(2154103321)1220(29)24(19)23(22)171316(26)6718(17)27h471013152328H3891112H212H3
MFCD03370930
ZINC000002792838
ZINC000002792841
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