Vitas-M small molecule compound

3-({[1-(2,4-dimethylphenyl)-1H-tetrazol-5-yl]methyl}sulfanyl)-6-methyl-1,2,4-triazin-5-ol

Catalog ID
STK615347
SMILES Cc1ccc(c(c1)C)n1nnnc1CSc1nnc(c(n1)O)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 C14H15N7OS MW 329.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H15N7OS/c1-8-4-5-11(9(2)6-8)21-12(17-19-20-21)7-23-14-15-13(22)10(3)16-18-14/h4-6H,7H2,1-3H3,(H,15,18,22)
InChIKey
LJAJCCUZLFVPTJ-UHFFFAOYSA-N
Synonyms
898652-84-1
3(((1(24dimethylphenyl)1Htetrazol5yl)methyl)sulfanyl)6methyl124triazin5ol
3(((1(24dimethylphenyl)1Htetrazol5yl)methyl)thio)6methyl124triazin5ol
3((1(24DIMETHYLPHENYL)TETRAZOL5YL)METHYLSULFANYL)6METHYL2H124TRIAZIN5ONE
CC1=CC(=C(C=C1)N2C(=NN=N2)CSC3=NC(=O)C(=NN3)C)C
InChI=1SC14H15N7OSc184511(9(2)68)2112(17192021)723141513(22)10(3)161814h46H7H213H3(H151822)
MFCD08291431
ZINC13629798

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Available files

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