Vitas-M small molecule compound
3-[(2,5-dimethylbenzyl)sulfanyl]-4-(4-methoxyphenyl)-5-[(4-methylphenoxy)methyl]-4H-1,2,4-triazole
Catalog ID
STL054880
SMILES COc1ccc(cc1)n1c(COc2ccc(cc2)C)nnc1SCc1cc(C)ccc1C
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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 C26H27N3O2S MW 445.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H27N3O2S/c1-18-6-11-24(12-7-18)31-16-25-27-28-26(29(25)22-9-13-23(30-4)14-10-22)32-17-21-15-19(2)5-8-20(21)3/h5-15H,16-17H2,1-4H3InChIKey
PVPARKYCUOEEPJ-UHFFFAOYSA-NSynonyms
849032-14-01((5((25DIMETHYLPHENYL)METHYLTHIO)4(4METHOXYPHENYL)(124TRIAZOL3YL))METHOXY)4METHYLBENZENE
3(((25DIMETHYLPHENYL)METHYL)SULFANYL)4(4METHOXYPHENYL)5(4METHYLPHENOXYMETHYL)4H124TRIAZOLE
3((25dimethylbenzyl)sulfanyl)4(4methoxyphenyl)5((4methylphenoxy)methyl)4H124triazole
3((25dimethylbenzyl)thio)4(4methoxyphenyl)5((ptolyloxy)methyl)4H124triazole
3((25DIMETHYLPHENYL)METHYLSULFANYL)4(4METHOXYPHENYL)5((4METHYLPHENOXY)METHYL)124TRIAZOLE
849032140
CC1=CC=C(C=C1)OCC2=NN=C(N2C3=CC=C(C=C3)OC)SCC4=C(C=CC(=C4)C)C
InChI=1SC26H27N3O2Sc11861124(12718)311625272826(29(25)2291323(304)141022)3217211519(2)5820(21)3h515H1617H214H3
MFCD05682020
ZINC000002454455
ZINC02454455
ZINC2454455
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