Vitas-M small molecule compound

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

Catalog ID
STK643306
SMILES OC(=O)c1ccc(cc1)n1c(=S)[nH]nc1c1ccc(c(c1)Br)F

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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 C15H9BrFN3O2S MW 394.22 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H9BrFN3O2S/c16-11-7-9(3-6-12(11)17)13-18-19-15(23)20(13)10-4-1-8(2-5-10)14(21)22/h1-7H,(H,19,23)(H,21,22)
InChIKey
PACLUHFXCPZQQC-UHFFFAOYSA-N
Synonyms
1081136-98-2
1081136982
4(3(3bromo4fluorophenyl)5sulfanylidene1H124triazol4yl)benzoicacid
4(3(3bromo4fluorophenyl)5thioxo15dihydro4H124triazol4yl)benzoicacid
C1=CC(=CC=C1C(=O)O)N2C(=NNC2=S)C3=CC(=C(C=C3)F)Br
InChI=1SC15H9BrFN3O2Sc161179(3612(11)17)13181915(23)20(13)10418(2510)14(21)22h17H(H1923)(H2122)
MFCD18163270
OC(=O)c1ccc(cc1)n1c(=S)(nH)nc1c1ccc(c(c1)Br)F
ZINC000020725473
ZINC20725473

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Available files

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