Vitas-M small molecule compound
2-amino-1-(4-bromophenyl)-4-(4-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STK754169
SMILES N#CC1=C(N)N(c2ccc(cc2)Br)C2=C(C1c1ccc(cc1)[N+](=O)[O-])C(=O)CCC2
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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 C22H17BrN4O3 MW 465.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H17BrN4O3/c23-14-6-10-15(11-7-14)26-18-2-1-3-19(28)21(18)20(17(12-24)22(26)25)13-4-8-16(9-5-13)27(29)30/h4-11,20H,1-3,25H2InChIKey
PBGLSJFTUHQLEC-UHFFFAOYSA-NSynonyms
2amino1(4bromophenyl)4(4nitrophenyl)5oxo145678hexahydroquinoline3carbonitrile
2amino1(4bromophenyl)4(4nitrophenyl)5oxo4678tetrahydroquinoline3carbonitrile
C1CC2=C(C(C(=C(N2C3=CC=C(C=C3)Br)N)C#N)C4=CC=C(C=C4)(N+)(=O)(O))C(=O)C1
InChI=1SC22H17BrN4O3c231461015(11714)261821319(28)21(18)20(17(1224)22(26)25)134816(9513)27(29)30h41120H1325H2
MFCD00825250
N#CC1=C(N)N(c2ccc(cc2)Br)C2=C(C1c1ccc(cc1)(N+)(=O)(O))C(=O)CCC2
ZINC000001056560
ZINC000001056562
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