Vitas-M small molecule compound

4-[(2E)-2-(2,4-dichloro-5-nitrobenzylidene)hydrazinyl]-N-(4-fluorophenyl)-6-(piperidin-1-yl)-1,3,5-triazin-2-amine

Catalog ID
STK757915
SMILES Fc1ccc(cc1)Nc1nc(N/N=C/c2cc([N+](=O)[O-])c(cc2Cl)Cl)nc(n1)N1CCCCC1

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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 C21H19Cl2FN8O2 MW 505.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19Cl2FN8O2/c22-16-11-17(23)18(32(33)34)10-13(16)12-25-30-20-27-19(26-15-6-4-14(24)5-7-15)28-21(29-20)31-8-2-1-3-9-31/h4-7,10-12H,1-3,8-9H2,(H2,26,27,28,29,30)/b25-12+
InChIKey
RKEVOQGKTQOJJE-BRJLIKDPSA-N
Synonyms

2N((E)(24dichloro5nitrophenyl)methylideneamino)4N(4fluorophenyl)6piperidin1yl135triazine24diamine
4((2E)2(24dichloro5nitrobenzylidene)hydrazinyl)N(4fluorophenyl)6(piperidin1yl)135triazin2amine
C1CCN(CC1)C2=NC(=NC(=N2)NN=CC3=CC(=C(C=C3Cl)Cl)(N+)(=O)(O))NC4=CC=C(C=C4)F
Fc1ccc(cc1)Nc1nc(NN=Cc2cc((N+)(=O)(O))c(cc2Cl)Cl)nc(n1)N1CCCCC1
InChI=1SC21H19Cl2FN8O2c22161117(23)18(32(33)34)1013(16)122530202719(26156414(24)5715)2821(2920)318213931h471012H1389H2(H22627282930)b2512+
MFCD00621114
ZINC000012374615
ZINC33909735

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Available files

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