Vitas-M small molecule compound

2-chloro-5-[3-(3,5-difluorobenzyl)-5-thioxo-1,5-dihydro-4H-1,2,4-triazol-4-yl]benzoic acid

Catalog ID
STK642599
SMILES Fc1cc(cc(c1)F)Cc1n[nH]c(=S)n1c1ccc(c(c1)C(=O)O)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 C16H10ClF2N3O2S MW 381.79 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H10ClF2N3O2S/c17-13-2-1-11(7-12(13)15(23)24)22-14(20-21-16(22)25)5-8-3-9(18)6-10(19)4-8/h1-4,6-7H,5H2,(H,21,25)(H,23,24)
InChIKey
BOSWDQRBEIQURG-UHFFFAOYSA-N
Synonyms
1010900-82-9
1010900829
Fc1cc(cc(c1)F)Cc1n(nH)c(=S)n1c1ccc(c(c1)C(=O)O)Cl
MFCD18163026
ZINC000012324602

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Available files

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