Vitas-M small molecule compound
1-({4-ethyl-5-[(4-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-3,3-dimethylbutan-2-one
Catalog ID
STK574132
SMILES 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 C18H25N3O2S MW 347.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H25N3O2S/c1-6-21-16(11-23-14-9-7-13(2)8-10-14)19-20-17(21)24-12-15(22)18(3,4)5/h7-10H,6,11-12H2,1-5H3InChIKey
IBCXAFNJODPXKE-UHFFFAOYSA-NSynonyms
861140-07-01((4ETHYL5((4METHYLPHENOXY)METHYL)124TRIAZOL3YL)SULFANYL)33DIMETHYLBUTAN2ONE
1((4ethyl5((4methylphenoxy)methyl)4H124triazol3yl)sulfanyl)33dimethylbutan2one
1((4ethyl5((ptolyloxy)methyl)4H124triazol3yl)thio)33dimethylbutan2one
1(4ETHYL5((4METHYLPHENOXY)METHYL)(124TRIAZOL3YLTHIO))33DIMETHYLBUTAN2ONE
861140070
CCN1C(=NN=C1SCC(=O)C(C)(C)C)COC2=CC=C(C=C2)C
InChI=1SC18H25N3O2Sc162116(1123149713(2)81014)192017(21)241215(22)18(34)5h710H61112H215H3
MFCD05683898
ZINC000004296088
ZINC04296088
ZINC4296088
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