Vitas-M small molecule compound

3-[(2,5-dimethylbenzyl)sulfanyl]-5-(pyridin-3-yl)-4H-1,2,4-triazol-4-amine

Catalog ID
STL341220
SMILES Cc1ccc(c(c1)CSc1nnc(n1N)c1cccnc1)C

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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 C16H17N5S MW 311.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H17N5S/c1-11-5-6-12(2)14(8-11)10-22-16-20-19-15(21(16)17)13-4-3-7-18-9-13/h3-9H,10,17H2,1-2H3
InChIKey
YDSNNWLDMHNDOY-UHFFFAOYSA-N
Synonyms
578760-87-9
3((25dimethylbenzyl)sulfanyl)5(pyridin3yl)4H124triazol4amine
3((25dimethylbenzyl)thio)5(pyridin3yl)4H124triazol4amine
3((25DIMETHYLPHENYL)METHYLSULFANYL)5PYRIDIN3YL124TRIAZOL4AMINE
3((25DIMETHYLPHENYL)METHYLTHIO)5(3PYRIDYL)124TRIAZOLE4YLAMINE
578760879
CC1=CC(=C(C=C1)C)CSC2=NN=C(N2N)C3=CN=CC=C3
InChI=1SC16H17N5Sc1115612(2)14(811)102216201915(21(16)17)1343718913h39H1017H212H3
MFCD04025788
ZINC000000531383
ZINC00531383
ZINC531383

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Available files

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