Vitas-M small molecule compound
ethyl 4-(4-bromophenyl)-2-ethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK371846
SMILES CCOC(=O)C1=C(CC)NC2=C(C1c1ccc(cc1)Br)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 C20H22BrNO3 MW 404.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H22BrNO3/c1-3-14-19(20(24)25-4-2)17(12-8-10-13(21)11-9-12)18-15(22-14)6-5-7-16(18)23/h8-11,17,22H,3-7H2,1-2H3InChIKey
BZNCXIDLIUZKEF-UHFFFAOYSA-NSynonyms
CCC1=C(C(C2=C(N1)CCCC2=O)C3=CC=C(C=C3)Br)C(=O)OCC
ethyl4(4bromophenyl)2ethyl5oxo145678hexahydroquinoline3carboxylate
ethyl4(4bromophenyl)2ethyl5oxo4678tetrahydro1Hquinoline3carboxylate
InChI=1SC20H22BrNO3c131419(20(24)2542)17(1281013(21)11912)1815(2214)65716(18)23h8111722H37H212H3
MFCD00619536
ZINC000004130973
ZINC000018153414
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