Vitas-M small molecule compound

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

Catalog ID
STK596350
SMILES C=CCn1c(SCC(=O)C(C)(C)C)nnc1c1ccc(cc1)OC

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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/c1-6-11-21-16(13-7-9-14(23-5)10-8-13)19-20-17(21)24-12-15(22)18(2,3)4/h6-10H,1,11-12H2,2-5H3
InChIKey
BHPYWASNLIAJSF-UHFFFAOYSA-N
Synonyms
861637-99-2
1((4allyl5(4methoxyphenyl)4H124triazol3yl)thio)33dimethylbutan2one
1((5(4methoxyphenyl)4(prop2en1yl)4H124triazol3yl)sulfanyl)33dimethylbutan2one
1((5(4METHOXYPHENYL)4PROP2ENYL124TRIAZOL3YL)SULFANYL)33DIMETHYLBUTAN2ONE
1(5(4METHOXYPHENYL)4PROP2ENYL(124TRIAZOL3YLTHIO))33DIMETHYLBUTAN2ONE
861637992
CC(C)(C)C(=O)CSC1=NN=C(N1CC=C)C2=CC=C(C=C2)OC
InChI=1SC18H23N3O2Sc16112116(137914(235)10813)192017(21)241215(22)18(23)4h610H11112H225H3
MFCD05685538
ZINC000005478685
ZINC05478685
ZINC5478685

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Available files

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