Vitas-M small molecule compound

2-[(4-ethyl-5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-1-(4-fluorophenyl)ethanone

Catalog ID
STK251337
SMILES CCn1c(SCC(=O)c2ccc(cc2)F)nnc1C

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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 C13H14FN3OS MW 279.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H14FN3OS/c1-3-17-9(2)15-16-13(17)19-8-12(18)10-4-6-11(14)7-5-10/h4-7H,3,8H2,1-2H3
InChIKey
ZBOLAPLESRZMFK-UHFFFAOYSA-N
Synonyms

2((4ethyl5methyl124triazol3yl)sulfanyl)1(4fluorophenyl)ethanone
2((4ETHYL5METHYL4H124TRIAZOL3YL)SULFANYL)1(4FLUOROPHENYL)ETHANONE
2(4ETHYL5METHYL4H(124)TRIAZOL3YLSULFANYL)1(4FLUOROPHENYL)ETHANONE
CCN1C(=NN=C1SCC(=O)C2=CC=C(C=C2)F)C
InChI=1SC13H14FN3OSc13179(2)151613(17)19812(18)104611(14)7510h47H38H212H3
MFCD08670674
ZINC000009699239
ZINC09699239
ZINC9699239

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.