Vitas-M small molecule compound

3,3-dimethyl-1-{[5-(phenoxymethyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}butan-2-one

Catalog ID
STK589930
SMILES C=CCn1c(nnc1SCC(=O)C(C)(C)C)COc1ccccc1

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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 C18H23N3O2S MW 345.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H23N3O2S/c1-5-11-21-16(12-23-14-9-7-6-8-10-14)19-20-17(21)24-13-15(22)18(2,3)4/h5-10H,1,11-13H2,2-4H3
InChIKey
SYEPVLNXRVXGNS-UHFFFAOYSA-N
Synonyms
849007-75-6
1((4allyl5(phenoxymethyl)4H124triazol3yl)thio)33dimethylbutan2one
33dimethyl1((5(phenoxymethyl)4(prop2en1yl)4H124triazol3yl)sulfanyl)butan2one
33DIMETHYL1((5(PHENOXYMETHYL)4PROP2ENYL124TRIAZOL3YL)SULFANYL)BUTAN2ONE
33DIMETHYL1(5(PHENOXYMETHYL)4PROP2ENYL(124TRIAZOL3YLTHIO))BUTAN2ONE
849007756
CC(C)(C)C(=O)CSC1=NN=C(N1CC=C)COC2=CC=CC=C2
InChI=1SC18H23N3O2Sc15112116(12231497681014)192017(21)241315(22)18(23)4h510H11113H224H3
MFCD05680409
ZINC000002450870
ZINC02450870
ZINC2450870

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Available files

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