Vitas-M small molecule compound

3-[(2-methylbenzyl)sulfanyl]-5-phenyl-4H-1,2,4-triazol-4-amine

Catalog ID
STL302890
SMILES Nn1c(nnc1c1ccccc1)SCc1ccccc1C

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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 C16H16N4S MW 296.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H16N4S/c1-12-7-5-6-10-14(12)11-21-16-19-18-15(20(16)17)13-8-3-2-4-9-13/h2-10H,11,17H2,1H3
InChIKey
XDWJUWOUWLEINN-UHFFFAOYSA-N
Synonyms
578747-34-9
3((2methylbenzyl)sulfanyl)5phenyl4H124triazol4amine
3((2METHYLBENZYL)THIO)5PHENYL4H124TRIAZOL4AMINE
3((2METHYLPHENYL)METHYLSULFANYL)5PHENYL124TRIAZOL4AMINE
3((2METHYLPHENYL)METHYLTHIO)5PHENYL124TRIAZOLE4YLAMINE
578747349
CC1=CC=CC=C1CSC2=NN=C(N2N)C3=CC=CC=C3
InChI=1SC16H16N4Sc1127561014(12)112116191815(20(16)17)138324913h210H1117H21H3
MFCD03609815
ZINC000000531072
ZINC00531072
ZINC531072

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Available files

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