Vitas-M small molecule compound
2-amino-4-(4-bromothiophen-2-yl)-7,7-dimethyl-1-(3-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STK754563
SMILES N#CC1=C(N)N(C2=C(C1c1scc(c1)Br)C(=O)CC(C2)(C)C)c1cccc(c1)[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(18-6-12(23)11-31-18)15(10-24)21(25)26(16)13-4-3-5-14(7-13)27(29)30/h3-7,11,19H,8-9,25H2,1-2H3InChIKey
OTAPSMKMVLKGQP-UHFFFAOYSA-NSynonyms
311318-26-02amino4(4bromothiophen2yl)77dimethyl1(3nitrophenyl)5oxo145678hexahydroquinoline3carbonitrile
2AMINO4(4BROMOTHIOPHEN2YL)77DIMETHYL1(3NITROPHENYL)5OXO68DIHYDRO4HQUINOLINE3CARBONITRILE
311318260
CC1(CC2=C(C(C(=C(N2C3=CC(=CC=C3)(N+)(=O)(O))N)C#N)C4=CC(=CS4)Br)C(=O)C1)C
InChI=1SC22H19BrN4O3Sc122(2)81620(17(28)922)19(18612(23)113118)15(1024)21(25)26(16)1343514(713)27(29)30h371119H8925H212H3
MFCD00826115
N#CC1=C(N)N(C2=C(C1c1scc(c1)Br)C(=O)CC(C2)(C)C)c1cccc(c1)(N+)(=O)(O)
ZINC000001435826
ZINC000001435827
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