Vitas-M small molecule compound
2-amino-1-(4-bromophenyl)-7,7-dimethyl-4-(4-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STK754547
SMILES N#CC1=C(N)N(c2ccc(cc2)Br)C2=C(C1c1ccc(cc1)[N+](=O)[O-])C(=O)CC(C2)(C)C
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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 C24H21BrN4O3 MW 493.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H21BrN4O3/c1-24(2)11-19-22(20(30)12-24)21(14-3-7-17(8-4-14)29(31)32)18(13-26)23(27)28(19)16-9-5-15(25)6-10-16/h3-10,21H,11-12,27H2,1-2H3InChIKey
UEDNRBMCPYXMPT-UHFFFAOYSA-NSynonyms
311318-11-32amino1(4bromophenyl)77dimethyl4(4nitrophenyl)5oxo145678hexahydroquinoline3carbonitrile
2AMINO1(4BROMOPHENYL)77DIMETHYL4(4NITROPHENYL)5OXO68DIHYDRO4HQUINOLINE3CARBONITRILE
311318113
CC1(CC2=C(C(C(=C(N2C3=CC=C(C=C3)Br)N)C#N)C4=CC=C(C=C4)(N+)(=O)(O))C(=O)C1)C
InChI=1SC24H21BrN4O3c124(2)111922(20(30)1224)21(143717(8414)29(31)32)18(1326)23(27)28(19)169515(25)61016h31021H111227H212H3
MFCD00826088
N#CC1=C(N)N(c2ccc(cc2)Br)C2=C(C1c1ccc(cc1)(N+)(=O)(O))C(=O)CC(C2)(C)C
ZINC000001057054
ZINC000001057056
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