Vitas-M small molecule compound
2-amino-7,7-dimethyl-1-(4-nitrophenyl)-5-oxo-4-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STK729746
SMILES N#CC1=C(N)N(C2=C(C1c1cccs1)C(=O)CC(C2)(C)C)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 C22H20N4O3S MW 420.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20N4O3S/c1-22(2)10-16-20(17(27)11-22)19(18-4-3-9-30-18)15(12-23)21(24)25(16)13-5-7-14(8-6-13)26(28)29/h3-9,19H,10-11,24H2,1-2H3InChIKey
ACXKATXEEQBQMH-UHFFFAOYSA-NSynonyms
311323-68-92amino77dimethyl1(4nitrophenyl)5oxo4(thiophen2yl)145678hexahydroquinoline3carbonitrile
2AMINO77DIMETHYL1(4NITROPHENYL)5OXO4THIOPHEN2YL68DIHYDRO4HQUINOLINE3CARBONITRILE
311323689
CC1(CC2=C(C(C(=C(N2C3=CC=C(C=C3)(N+)(=O)(O))N)C#N)C4=CC=CS4)C(=O)C1)C
InChI=1SC22H20N4O3Sc122(2)101620(17(27)1122)19(184393018)15(1223)21(24)25(16)135714(8613)26(28)29h3919H101124H212H3
MFCD00826664
N#CC1=C(N)N(C2=C(C1c1cccs1)C(=O)CC(C2)(C)C)c1ccc(cc1)(N+)(=O)(O)
ZINC000008809702
ZINC000008809703
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