Vitas-M small molecule compound

3-(4-chlorophenyl)-4-ethyl-5-[(4-fluorobenzyl)sulfanyl]-4H-1,2,4-triazole

Catalog ID
STK415311
SMILES CCn1c(SCc2ccc(cc2)F)nnc1c1ccc(cc1)Cl

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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 C17H15ClFN3S MW 347.84 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H15ClFN3S/c1-2-22-16(13-5-7-14(18)8-6-13)20-21-17(22)23-11-12-3-9-15(19)10-4-12/h3-10H,2,11H2,1H3
InChIKey
SJMZFNXUQGQQAI-UHFFFAOYSA-N
Synonyms

3(4chlorophenyl)4ethyl5((4fluorobenzyl)sulfanyl)4H124triazole
3(4CHLOROPHENYL)4ETHYL5((4FLUOROPHENYL)METHYLSULFANYL)124TRIAZOLE
5(4CHLOROPHENYL)4ETHYL3((4FLUOROPHENYL)METHYLTHIO)124TRIAZOLE
CCN1C(=NN=C1SCC2=CC=C(C=C2)F)C3=CC=C(C=C3)Cl
InChI=1SC17H15ClFN3Sc122216(135714(18)8613)202117(22)2311123915(19)10412h310H211H21H3
MFCD05817884
ZINC000000581759
ZINC00581759
ZINC581759

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Available files

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