Vitas-M small molecule compound
5-{3-[(4-chloro-3-methylphenoxy)methyl]-4-methoxyphenyl}-4-(tetrahydrofuran-2-ylmethyl)-4H-1,2,4-triazole-3-thiol
Catalog ID
STK307203
SMILES COc1ccc(cc1COc1ccc(c(c1)C)Cl)c1nnc(n1CC1CCCO1)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 C22H24ClN3O3S MW 445.97 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H24ClN3O3S/c1-14-10-17(6-7-19(14)23)29-13-16-11-15(5-8-20(16)27-2)21-24-25-22(30)26(21)12-18-4-3-9-28-18/h5-8,10-11,18H,3-4,9,12-13H2,1-2H3,(H,25,30)InChIKey
ZMMBRVWTGVBYCC-UHFFFAOYSA-NSynonyms
828290-39-73(3((4CHLORO3METHYLPHENOXY)METHYL)4METHOXYPHENYL)4(OXOLAN2YLMETHYL)1H124TRIAZOLE5THIONE
5(3((4chloro3methylphenoxy)methyl)4methoxyphenyl)4(tetrahydrofuran2ylmethyl)4H124triazole3thiol
828290397
CC1=C(C=CC(=C1)OCC2=C(C=CC(=C2)C3=NNC(=S)N3CC4CCCO4)OC)Cl
InChI=1SC22H24ClN3O3Sc1141017(6719(14)23)2913161115(5820(16)272)21242522(30)26(21)12184392818h58101118H3491213H212H3(H2530)
MFCD04056634
ZINC000002793185
ZINC000002793186
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