Vitas-M small molecule compound

2-amino-1-(4-bromo-2-chlorophenyl)-4-(5-nitrothiophen-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile

Catalog ID
STK783921
SMILES N#CC1=C(N)N(C2=C(C1c1ccc(s1)[N+](=O)[O-])C(=O)CCC2)c1ccc(cc1Cl)Br

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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 C20H14BrClN4O3S MW 505.78 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H14BrClN4O3S/c21-10-4-5-13(12(22)8-10)25-14-2-1-3-15(27)19(14)18(11(9-23)20(25)24)16-6-7-17(30-16)26(28)29/h4-8,18H,1-3,24H2
InChIKey
NKUGLSCJZIGOHI-UHFFFAOYSA-N
Synonyms
2amino1(4bromo2chlorophenyl)4(5nitrothiophen2yl)5oxo145678hexahydroquinoline3carbonitrile
2amino1(4bromo2chlorophenyl)4(5nitrothiophen2yl)5oxo4678tetrahydroquinoline3carbonitrile
C1CC2=C(C(C(=C(N2C3=C(C=C(C=C3)Br)Cl)N)C#N)C4=CC=C(S4)(N+)(=O)(O))C(=O)C1
N#CC1=C(N)N(C2=C(C1c1ccc(s1)(N+)(=O)(O))C(=O)CCC2)c1ccc(cc1Cl)Br
Registry IDs
MFCD06619196
ZINC000012428444
ZINC000012428445

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Available files

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