Vitas-M small molecule compound

N-(4-methoxybenzyl)-1-(methylsulfonyl)-3-(thiophen-2-yl)-1H-1,2,4-triazol-5-amine

Catalog ID
STK246531
SMILES COc1ccc(cc1)CNc1nc(nn1S(=O)(=O)C)c1cccs1

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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 C15H16N4O3S2 MW 364.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H16N4O3S2/c1-22-12-7-5-11(6-8-12)10-16-15-17-14(13-4-3-9-23-13)18-19(15)24(2,20)21/h3-9H,10H2,1-2H3,(H,16,17,18)
InChIKey
BHKUNBDUQYECMS-UHFFFAOYSA-N
Synonyms

COC1=CC=C(C=C1)CNC2=NC(=NN2S(=O)(=O)C)C3=CC=CS3
InChI=1SC15H16N4O3S2c122127511(6812)1016151714(134392313)1819(15)24(220)21h39H10H212H3(H161718)
MFCD08685147
N((4methoxyphenyl)methyl)2methylsulfonyl5thiophen2yl124triazol3amine
N(4methoxybenzyl)1(methylsulfonyl)3(thiophen2yl)1H124triazol5amine
ZINC000009667648
ZINC09667648
ZINC9667648

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Available files

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