Vitas-M small molecule compound
2-amino-4-(4-bromothiophen-2-yl)-7,7-dimethyl-1-(4-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STK754786
SMILES N#CC1=C(N)N(C2=C(C1c1scc(c1)Br)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 C22H19BrN4O3S MW 499.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H19BrN4O3S/c1-22(2)8-16-20(17(28)9-22)19(18-7-12(23)11-31-18)15(10-24)21(25)26(16)13-3-5-14(6-4-13)27(29)30/h3-7,11,19H,8-9,25H2,1-2H3InChIKey
FWKRXCGEVKPTKA-UHFFFAOYSA-NSynonyms
311323-38-32amino4(4bromothiophen2yl)77dimethyl1(4nitrophenyl)5oxo145678hexahydroquinoline3carbonitrile
2AMINO4(4BROMOTHIOPHEN2YL)77DIMETHYL1(4NITROPHENYL)5OXO68DIHYDRO4HQUINOLINE3CARBONITRILE
311323383
CC1(CC2=C(C(C(=C(N2C3=CC=C(C=C3)(N+)(=O)(O))N)C#N)C4=CC(=CS4)Br)C(=O)C1)C
InChI=1SC22H19BrN4O3Sc122(2)81620(17(28)922)19(18712(23)113118)15(1024)21(25)26(16)133514(6413)27(29)30h371119H8925H212H3
MFCD00826639
N#CC1=C(N)N(C2=C(C1c1scc(c1)Br)C(=O)CC(C2)(C)C)c1ccc(cc1)(N+)(=O)(O)
ZINC000008856272
ZINC000008856273
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