Vitas-M small molecule compound

5-(2-chloro-6-fluorobenzyl)-4-(furan-2-ylmethyl)-4H-1,2,4-triazole-3-thiol

Catalog ID
STK444107
SMILES Sc1nnc(n1Cc1ccco1)Cc1c(F)cccc1Cl

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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 C14H11ClFN3OS MW 323.78 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H11ClFN3OS/c15-11-4-1-5-12(16)10(11)7-13-17-18-14(21)19(13)8-9-3-2-6-20-9/h1-6H,7-8H2,(H,18,21)
InChIKey
JAQSKKLJLBVRIS-UHFFFAOYSA-N
Synonyms

3((2chloro6fluorophenyl)methyl)4(furan2ylmethyl)1H124triazole5thione
5((2CHLORO6FLUOROPHENYL)METHYL)4(2FURYLMETHYL)124TRIAZOLE3THIOL
5(2chloro6fluorobenzyl)4(furan2ylmethyl)4H124triazole3thiol
C1=CC(=C(C(=C1)Cl)CC2=NNC(=S)N2CC3=CC=CO3)F
InChI=1SC14H11ClFN3OSc151141512(16)10(11)713171814(21)19(13)89326209h16H78H2(H1821)
MFCD04055304
ZINC000006402261
ZINC06402261
ZINC6402261

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Available files

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