Vitas-M small molecule compound

4-(3-chloro-4-fluorophenyl)-5-(2-phenylethyl)-4H-1,2,4-triazole-3-thiol

Catalog ID
STK444115
SMILES Fc1ccc(cc1Cl)n1c(nnc1S)CCc1ccccc1

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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 C16H13ClFN3S MW 333.82 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H13ClFN3S/c17-13-10-12(7-8-14(13)18)21-15(19-20-16(21)22)9-6-11-4-2-1-3-5-11/h1-5,7-8,10H,6,9H2,(H,20,22)
InChIKey
JYEBPHIKJWKXIM-UHFFFAOYSA-N
Synonyms

4(3chloro4fluorophenyl)3(2phenylethyl)1H124triazole5thione
4(3CHLORO4FLUOROPHENYL)5(2PHENYLETHYL)124TRIAZOLE3THIOL
4(3chloro4fluorophenyl)5(2phenylethyl)4H124triazole3thiol
C1=CC=C(C=C1)CCC2=NNC(=S)N2C3=CC(=C(C=C3)F)Cl
InChI=1SC16H13ClFN3Sc17131012(7814(13)18)2115(192016(21)22)96114213511h157810H69H2(H2022)
MFCD04055312
ZINC000006402863
ZINC06402863
ZINC6402863

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Available files

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