Vitas-M small molecule compound

N-benzyl-6-[(2E)-2-(2,6-dichlorobenzylidene)hydrazinyl]-N'-(4-nitrophenyl)-1,3,5-triazine-2,4-diamine

Catalog ID
STK750631
SMILES Clc1cccc(c1/C=N/Nc1nc(Nc2ccc(cc2)[N+](=O)[O-])nc(n1)NCc1ccccc1)Cl

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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 C23H18Cl2N8O2 MW 509.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H18Cl2N8O2/c24-19-7-4-8-20(25)18(19)14-27-32-23-30-21(26-13-15-5-2-1-3-6-15)29-22(31-23)28-16-9-11-17(12-10-16)33(34)35/h1-12,14H,13H2,(H3,26,28,29,30,31,32)/b27-14+
InChIKey
DPCQYTGCDCESDE-MZJWZYIUSA-N
Synonyms

6Nbenzyl2N((E)(26dichlorophenyl)methylideneamino)4N(4nitrophenyl)135triazine246triamine
C1=CC=C(C=C1)CNC2=NC(=NC(=N2)NC3=CC=C(C=C3)(N+)(=O)(O))NN=CC4=C(C=CC=C4Cl)Cl
Clc1cccc(c1C=NNc1nc(Nc2ccc(cc2)(N+)(=O)(O))nc(n1)NCc1ccccc1)Cl
InChI=1SC23H18Cl2N8O2c241974820(25)18(19)142732233021(2613155213615)2922(3123)281691117(121016)33(34)35h11214H13H2(H3262829303132)b2714+
MFCD00738987
NBENZYL6((2E)2(26DICHLOROBENZYLIDENE)HYDRAZINYL)N(4NITROPHENYL)135TRIAZINE24DIAMINE
ZINC000008872874
ZINC35401022

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.