Vitas-M small molecule compound
4-(5-chloro-2-methylphenyl)-5-(methoxymethyl)-4H-1,2,4-triazole-3-thiol
Catalog ID
STK445205
SMILES COCc1nnc(n1c1cc(Cl)ccc1C)S
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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 C11H12ClN3OS MW 269.75 g/mol Purity >90% as per NMR
InChI
InChI=1S/C11H12ClN3OS/c1-7-3-4-8(12)5-9(7)15-10(6-16-2)13-14-11(15)17/h3-5H,6H2,1-2H3,(H,14,17)InChIKey
KSNXBDLAUYQZOH-UHFFFAOYSA-NSynonyms
4(5chloro2methylphenyl)3(methoxymethyl)1H124triazole5thione
4(5CHLORO2METHYLPHENYL)5(METHOXYMETHYL)124TRIAZOLE3THIOL
4(5chloro2methylphenyl)5(methoxymethyl)4H124triazole3thiol
CC1=C(C=C(C=C1)Cl)N2C(=NNC2=S)COC
InChI=1SC11H12ClN3OSc17348(12)59(7)1510(6162)131411(15)17h35H6H212H3(H1417)
MFCD04057702
ZINC000006401158
ZINC06401158
ZINC6401158
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