Vitas-M small molecule compound
3,3-dimethyl-1-({5-[(4-methylphenoxy)methyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)butan-2-one
Catalog ID
STL053127
SMILES C=CCn1c(nnc1SCC(=O)C(C)(C)C)COc1ccc(cc1)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 C19H25N3O2S MW 359.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H25N3O2S/c1-6-11-22-17(12-24-15-9-7-14(2)8-10-15)20-21-18(22)25-13-16(23)19(3,4)5/h6-10H,1,11-13H2,2-5H3InChIKey
IQRZDQIKRLLIOI-UHFFFAOYSA-NSynonyms
849020-83-31((4allyl5((ptolyloxy)methyl)4H124triazol3yl)thio)33dimethylbutan2one
33dimethyl1((5((4methylphenoxy)methyl)4(prop2en1yl)4H124triazol3yl)sulfanyl)butan2one
33DIMETHYL1((5((4METHYLPHENOXY)METHYL)4PROP2ENYL124TRIAZOL3YL)SULFANYL)BUTAN2ONE
33DIMETHYL1(5((4METHYLPHENOXY)METHYL)4PROP2ENYL(124TRIAZOL3YLTHIO))BUTAN2ONE
849020833
CC1=CC=C(C=C1)OCC2=NN=C(N2CC=C)SCC(=O)C(C)(C)C
InChI=1SC19H25N3O2Sc16112217(1224159714(2)81015)202118(22)251316(23)19(34)5h610H11113H225H3
MFCD05681211
ZINC000002453094
ZINC02453094
ZINC2453094
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