Vitas-M small molecule compound
4-(2-methoxyethyl)-5-{[4-(2-phenylpropan-2-yl)phenoxy]methyl}-4H-1,2,4-triazole-3-thiol
Catalog ID
STK448422
SMILES COCCn1c(COc2ccc(cc2)C(c2ccccc2)(C)C)nnc1S
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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 C21H25N3O2S MW 383.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H25N3O2S/c1-21(2,16-7-5-4-6-8-16)17-9-11-18(12-10-17)26-15-19-22-23-20(27)24(19)13-14-25-3/h4-12H,13-15H2,1-3H3,(H,23,27)InChIKey
KDGVECYGEUNVKV-UHFFFAOYSA-NSynonyms
4(2methoxyethyl)3((4(2phenylpropan2yl)phenoxy)methyl)1H124triazole5thione
4(2METHOXYETHYL)5((4(1METHYL1PHENYLETHYL)PHENOXY)METHYL)124TRIAZOLE3THIOL
4(2methoxyethyl)5((4(2phenylpropan2yl)phenoxy)methyl)4H124triazole3thiol
CC(C)(C1=CC=CC=C1)C2=CC=C(C=C2)OCC3=NNC(=S)N3CCOC
InChI=1SC21H25N3O2Sc121(2167546816)1791118(121017)261519222320(27)24(19)1314253h412H1315H213H3(H2327)
MFCD04140977
ZINC000017078353
ZINC17078353
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