Vitas-M small molecule compound
ethyl 4-{5-[2-amino-1-(4-bromo-2-methylphenyl)-3-cyano-5-oxo-1,4,5,6,7,8-hexahydroquinolin-4-yl]furan-2-yl}benzoate
Catalog ID
STL177257
SMILES CCOC(=O)c1ccc(cc1)c1ccc(o1)C1C(=C(N)N(C2=C1C(=O)CCC2)c1ccc(cc1C)Br)C#N
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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 C30H26BrN3O4 MW 572.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H26BrN3O4/c1-3-37-30(36)19-9-7-18(8-10-19)25-13-14-26(38-25)27-21(16-32)29(33)34(22-12-11-20(31)15-17(22)2)23-5-4-6-24(35)28(23)27/h7-15,27H,3-6,33H2,1-2H3InChIKey
FAAXVCZHDAFJDO-UHFFFAOYSA-NSynonyms
832673-75-3832673753
CCOC(=O)C1=CC=C(C=C1)C2=CC=C(O2)C3C(=C(N(C4=C3C(=O)CCC4)C5=C(C=C(C=C5)Br)C)N)C#N
ethyl4(5(2amino1(4bromo2methylphenyl)3cyano5oxo145678hexahydroquinolin4yl)furan2yl)benzoate
ethyl4(5(2amino1(4bromo2methylphenyl)3cyano5oxo4678tetrahydroquinolin4yl)furan2yl)benzoate
InChI=1SC30H26BrN3O4c133730(36)199718(81019)25131426(3825)2721(1632)29(33)34(22121120(31)1517(22)2)2354624(35)28(23)27h71527H3633H212H3
MFCD04052555
ZINC000002762779
ZINC000002762780
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