Vitas-M small molecule compound
5-amino-3-{(E)-1-cyano-2-[4-(dimethylamino)-3-nitrophenyl]ethenyl}-1-phenyl-1H-pyrazole-4-carbonitrile
Catalog ID
STL431103
SMILES N#C/C(=C/c1ccc(c(c1)[N+](=O)[O-])N(C)C)/c1nn(c(c1C#N)N)c1ccccc1
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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 C21H17N7O2 MW 399.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H17N7O2/c1-26(2)18-9-8-14(11-19(18)28(29)30)10-15(12-22)20-17(13-23)21(24)27(25-20)16-6-4-3-5-7-16/h3-11H,24H2,1-2H3/b15-10-InChIKey
ZSQQXDOOQORDFO-GDNBJRDFSA-NSynonyms
5amino3((E)1cyano2(4(dimethylamino)3nitrophenyl)ethenyl)1phenyl1Hpyrazole4carbonitrile
5amino3((E)1cyano2(4(dimethylamino)3nitrophenyl)ethenyl)1phenylpyrazole4carbonitrile
CN(C)C1=C(C=C(C=C1)C=C(C#N)C2=NN(C(=C2C#N)N)C3=CC=CC=C3)(N+)(=O)(O)
InChI=1SC21H17N7O2c126(2)189814(1119(18)28(29)30)1015(1222)2017(1323)21(24)27(2520)166435716h311H24H212H3b1510
MFCD26099066
N#CC(=Cc1ccc(c(c1)(N+)(=O)(O))N(C)C)c1nn(c(c1C#N)N)c1ccccc1
ZINC000033400227
ZINC33400227
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