Vitas-M small molecule compound
4-[3-(2,3-difluorophenyl)-5-thioxo-1,5-dihydro-4H-1,2,4-triazol-4-yl]benzoic acid
Catalog ID
STK643866
SMILES OC(=O)c1ccc(cc1)n1c(=S)[nH]nc1c1cccc(c1F)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 C15H9F2N3O2S MW 333.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H9F2N3O2S/c16-11-3-1-2-10(12(11)17)13-18-19-15(23)20(13)9-6-4-8(5-7-9)14(21)22/h1-7H,(H,19,23)(H,21,22)InChIKey
GZZYEBUKCCBROP-UHFFFAOYSA-NSynonyms
1010924-93-21010924932
4(3(23difluorophenyl)5sulfanylidene1H124triazol4yl)benzoicacid
4(3(23difluorophenyl)5thioxo15dihydro4H124triazol4yl)benzoicacid
C1=CC(=C(C(=C1)F)F)C2=NNC(=S)N2C3=CC=C(C=C3)C(=O)O
InChI=1SC15H9F2N3O2Sc161131210(12(11)17)13181915(23)20(13)9648(579)14(21)22h17H(H1923)(H2122)
MFCD18163446
OC(=O)c1ccc(cc1)n1c(=S)(nH)nc1c1cccc(c1F)F
ZINC000012324704
ZINC12324704
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