Vitas-M small molecule compound

4-(4-fluorophenyl)-3-methyl-5-[(3-phenylpropyl)sulfanyl]-4H-1,2,4-triazole

Catalog ID
STL375398
SMILES Fc1ccc(cc1)n1c(SCCCc2ccccc2)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 C18H18FN3S MW 327.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H18FN3S/c1-14-20-21-18(22(14)17-11-9-16(19)10-12-17)23-13-5-8-15-6-3-2-4-7-15/h2-4,6-7,9-12H,5,8,13H2,1H3
InChIKey
DUYNDKMLBHJCAV-UHFFFAOYSA-N
Synonyms

4(4fluorophenyl)3methyl5((3phenylpropyl)sulfanyl)4H124triazole
4(4FLUOROPHENYL)3METHYL5(3PHENYLPROPYLSULFANYL)124TRIAZOLE
4(4FLUOROPHENYL)5METHYL4H124TRIAZOL3YL3PHENYLPROPYLSULFIDE
CC1=NN=C(N1C2=CC=C(C=C2)F)SCCCC3=CC=CC=C3
InChI=1SC18H18FN3Sc114202118(22(14)1711916(19)101217)231358156324715h2467912H5813H21H3
MFCD03861987
ZINC000002128439
ZINC02128439
ZINC2128439

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Available files

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