Vitas-M small molecule compound
2-amino-4-(5-bromothiophen-2-yl)-1-(4-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STK753912
SMILES N#CC1=C(N)N(C2=C(C1c1ccc(s1)Br)C(=O)CCC2)c1ccc(cc1)[N+](=O)[O-]
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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 C20H15BrN4O3S MW 471.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H15BrN4O3S/c21-17-9-8-16(29-17)18-13(10-22)20(23)24(14-2-1-3-15(26)19(14)18)11-4-6-12(7-5-11)25(27)28/h4-9,18H,1-3,23H2InChIKey
IYFQTAQPVOBIHS-UHFFFAOYSA-NSynonyms
311331-23-42amino4(5bromothiophen2yl)1(4nitrophenyl)5oxo145678hexahydroquinoline3carbonitrile
2amino4(5bromothiophen2yl)1(4nitrophenyl)5oxo4678tetrahydroquinoline3carbonitrile
311331234
C1CC2=C(C(C(=C(N2C3=CC=C(C=C3)(N+)(=O)(O))N)C#N)C4=CC=C(S4)Br)C(=O)C1
InChI=1SC20H15BrN4O3Sc21179816(2917)1813(1022)20(23)24(1421315(26)19(14)18)114612(7511)25(27)28h4918H1323H2
MFCD00824839
N#CC1=C(N)N(C2=C(C1c1ccc(s1)Br)C(=O)CCC2)c1ccc(cc1)(N+)(=O)(O)
ZINC000008809648
ZINC000008809649
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