Vitas-M small molecule compound
N-{(E)-[4-(4-benzylpiperazin-1-yl)-3-nitrophenyl]methylidene}-4H-1,2,4-triazol-4-amine
Catalog ID
STK671274
SMILES [O-][N+](=O)c1cc(ccc1N1CCN(CC1)Cc1ccccc1)/C=N/n1cnnc1
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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 C20H21N7O2 MW 391.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H21N7O2/c28-27(29)20-12-18(13-23-26-15-21-22-16-26)6-7-19(20)25-10-8-24(9-11-25)14-17-4-2-1-3-5-17/h1-7,12-13,15-16H,8-11,14H2/b23-13+InChIKey
PLZMUNGGLHLHHW-YDZHTSKRSA-NSynonyms
(E)1(4(4benzylpiperazin1yl)3nitrophenyl)N(124triazol4yl)methanimine
(O)(N+)(=O)c1cc(ccc1N1CCN(CC1)Cc1ccccc1)C=Nn1cnnc1
C1CN(CCN1CC2=CC=CC=C2)C3=C(C=C(C=C3)C=NN4C=NN=C4)(N+)(=O)(O)
InChI=1SC20H21N7O2c2827(29)201218(1323261521221626)6719(20)2510824(91125)14174213517h1712131516H81114H2b2313+
MFCD00469952
N((E)(4(4BENZYLPIPERAZIN1YL)3NITROPHENYL)METHYLIDENE)4H124TRIAZOL4AMINE
ZINC000055183033
ZINC36067239
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