Vitas-M small molecule compound

N,N'-bis(4-fluorobenzyl)-1-(methylsulfonyl)-1H-1,2,4-triazole-3,5-diamine

Catalog ID
STK187597
SMILES Fc1ccc(cc1)CNc1nc(n(n1)S(=O)(=O)C)NCc1ccc(cc1)F

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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 C17H17F2N5O2S MW 393.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H17F2N5O2S/c1-27(25,26)24-17(21-11-13-4-8-15(19)9-5-13)22-16(23-24)20-10-12-2-6-14(18)7-3-12/h2-9H,10-11H2,1H3,(H2,20,21,22,23)
InChIKey
NPNPYKSINMCMTK-UHFFFAOYSA-N
Synonyms

3N5NBIS((4FLUOROPHENYL)METHYL)1METHYLSULFONYL124TRIAZOLE35DIAMINE
CS(=O)(=O)N1C(=NC(=N1)NCC2=CC=C(C=C2)F)NCC3=CC=C(C=C3)F
InChI=1SC17H17F2N5O2Sc127(2526)2417(2111134815(19)9513)2216(2324)2010122614(18)7312h29H1011H21H3(H220212223)
MFCD06664576
NNBIS(4FLUOROBENZYL)1(METHYLSULFONYL)1H124TRIAZOLE35DIAMINE
ZINC000004723816
ZINC04723816
ZINC4723816

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Available files

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