Vitas-M small molecule compound

5-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]methyl}-2,1,3-benzoxadiazole

Catalog ID
STK054581
SMILES Cc1cc(C)nc(n1)SCc1ccc2c(c1)non2

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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 C13H12N4OS MW 272.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H12N4OS/c1-8-5-9(2)15-13(14-8)19-7-10-3-4-11-12(6-10)17-18-16-11/h3-6H,7H2,1-2H3
InChIKey
NGVSUMBHUQWLLV-UHFFFAOYSA-N
Synonyms

5(((46DIMETHYLPYRIMIDIN2YL)SULFANYL)METHYL)213BENZOXADIAZOLE
5((46DIMETHYLPYRIMIDIN2YL)SULFANYLMETHYL)213BENZOXADIAZOLE
5(46DIMETHYLPYRIMIDIN2YLSULFANYLMETHYL)BENZO(125)OXADIAZOLE
CC1=CC(=NC(=N1)SCC2=CC3=NON=C3C=C2)C
Cc1cc(C)nc(n1)SCc1ccc2c(c1)non2
InChI=1SC13H12N4OSc1859(2)1513(148)19710341112(610)17181611h36H7H212H3
MFCD03044343
STK054581
ZINC000000304981
ZINC00304981
ZINC304981

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Available files

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