Vitas-M small molecule compound
4-(4-tert-butylphenyl)-5-(phenoxymethyl)-2-(piperidin-1-ylmethyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Catalog ID
STL186047
SMILES CC(c1ccc(cc1)n1c(COc2ccccc2)nn(c1=S)CN1CCCCC1)(C)C
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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 C25H32N4OS MW 436.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H32N4OS/c1-25(2,3)20-12-14-21(15-13-20)29-23(18-30-22-10-6-4-7-11-22)26-28(24(29)31)19-27-16-8-5-9-17-27/h4,6-7,10-15H,5,8-9,16-19H2,1-3H3InChIKey
AJJPSJDCVNFASZ-UHFFFAOYSA-NSynonyms
4(4tertbutylphenyl)5(phenoxymethyl)2(piperidin1ylmethyl)124triazole3thione
4(4tertbutylphenyl)5(phenoxymethyl)2(piperidin1ylmethyl)24dihydro3H124triazole3thione
CC(C)(C)C1=CC=C(C=C1)N2C(=NN(C2=S)CN3CCCCC3)COC4=CC=CC=C4
InChI=1SC25H32N4OSc125(23)20121421(151320)2923(183022106471122)2628(24(29)31)1927168591727h4671015H5891619H213H3
MFCD22387682
ZINC000072329970
ZINC72329970
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