Vitas-M small molecule compound
N-{(E)-[4-(4-benzylpiperazin-1-yl)-3-nitrophenyl]methylidene}-3,5-dimethyl-4H-1,2,4-triazol-4-amine
Catalog ID
STK674990
SMILES [O-][N+](=O)c1cc(ccc1N1CCN(CC1)Cc1ccccc1)/C=N/n1c(C)nnc1C
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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 C22H25N7O2 MW 419.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H25N7O2/c1-17-24-25-18(2)28(17)23-15-20-8-9-21(22(14-20)29(30)31)27-12-10-26(11-13-27)16-19-6-4-3-5-7-19/h3-9,14-15H,10-13,16H2,1-2H3/b23-15+InChIKey
TVEFDZMNGQMNHZ-HZHRSRAPSA-NSynonyms
(E)1(4(4benzylpiperazin1yl)3nitrophenyl)N(35dimethyl124triazol4yl)methanimine
(O)(N+)(=O)c1cc(ccc1N1CCN(CC1)Cc1ccccc1)C=Nn1c(C)nnc1C
CC1=NN=C(N1N=CC2=CC(=C(C=C2)N3CCN(CC3)CC4=CC=CC=C4)(N+)(=O)(O))C
InChI=1SC22H25N7O2c117242518(2)28(17)2315208921(22(1420)29(30)31)27121026(111327)16196435719h391415H101316H212H3b2315+
MFCD00758271
N((E)(4(4benzylpiperazin1yl)3nitrophenyl)methylidene)35dimethyl4H124triazol4amine
ZINC000055190549
ZINC33663268
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