Vitas-M small molecule compound

3-(benzylsulfanyl)-5-(4-methoxyphenyl)-4H-1,2,4-triazol-4-amine

Catalog ID
STK827932
SMILES COc1ccc(cc1)c1nnc(n1N)SCc1ccccc1

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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 C16H16N4OS MW 312.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H16N4OS/c1-21-14-9-7-13(8-10-14)15-18-19-16(20(15)17)22-11-12-5-3-2-4-6-12/h2-10H,11,17H2,1H3
InChIKey
JLGNOXFDWZKPHI-UHFFFAOYSA-N
Synonyms
677302-29-3
3(benzylsulfanyl)5(4methoxyphenyl)4H124triazol4amine
3(benzylthio)5(4methoxyphenyl)4H124triazol4amine
3BENZYLSULFANYL5(4METHOXYPHENYL)124TRIAZOL4AMINE
677302293
COC1=CC=C(C=C1)C2=NN=C(N2N)SCC3=CC=CC=C3
InChI=1SC16H16N4OSc121149713(81014)15181916(20(15)17)2211125324612h210H1117H21H3
MFCD00268808
ZINC000000517085
ZINC00517085
ZINC517085

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Available files

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