Vitas-M small molecule compound
1-{[4-ethyl-5-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-3,3-dimethylbutan-2-one
Catalog ID
STL056972
SMILES COc1ccccc1c1nnc(n1CC)SCC(=O)C(C)(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 C17H23N3O2S MW 333.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H23N3O2S/c1-6-20-15(12-9-7-8-10-13(12)22-5)18-19-16(20)23-11-14(21)17(2,3)4/h7-10H,6,11H2,1-5H3InChIKey
NKYVVCIOPAEYMT-UHFFFAOYSA-NSynonyms
862105-35-91((4ETHYL5(2METHOXYPHENYL)124TRIAZOL3YL)SULFANYL)33DIMETHYLBUTAN2ONE
1((4ethyl5(2methoxyphenyl)4H124triazol3yl)sulfanyl)33dimethylbutan2one
1((4ethyl5(2methoxyphenyl)4H124triazol3yl)thio)33dimethylbutan2one
862105359
CCN1C(=NN=C1SCC(=O)C(C)(C)C)C2=CC=CC=C2OC
InChI=1SC17H23N3O2Sc162015(129781013(12)225)181916(20)231114(21)17(23)4h710H611H215H3
MFCD05686753
ZINC000004295899
ZINC04295899
ZINC4295899
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