Vitas-M small molecule compound
2-[(1H-benzimidazol-2-ylmethyl)sulfanyl]-6-(methoxymethyl)-4-methylpyridine-3-carbonitrile
Catalog ID
STK668895
SMILES COCc1cc(C)c(c(n1)SCc1nc2c([nH]1)cccc2)C#N
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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 C17H16N4OS MW 324.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H16N4OS/c1-11-7-12(9-22-2)19-17(13(11)8-18)23-10-16-20-14-5-3-4-6-15(14)21-16/h3-7H,9-10H2,1-2H3,(H,20,21)InChIKey
KKDVGAAETYBQCX-UHFFFAOYSA-NSynonyms
2((1Hbenzimidazol2ylmethyl)sulfanyl)6(methoxymethyl)4methylpyridine3carbonitrile
2(1HBENZIMIDAZOL2YLMETHYLSULFANYL)6(METHOXYMETHYL)4METHYLPYRIDINE3CARBONITRILE
CC1=CC(=NC(=C1C#N)SCC2=NC3=CC=CC=C3N2)COC
COCc1cc(C)c(c(n1)SCc1nc2c((nH)1)cccc2)C#N
InChI=1SC17H16N4OSc111712(9222)1917(13(11)818)2310162014534615(14)2116h37H910H212H3(H2021)
MFCD00468976
ZINC000000050012
ZINC00050012
ZINC50012
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