Vitas-M small molecule compound
4-[3-(3,5-difluorobenzyl)-5-thioxo-1,5-dihydro-4H-1,2,4-triazol-4-yl]benzoic acid
Catalog ID
STK644569
SMILES Fc1cc(cc(c1)F)Cc1n[nH]c(=S)n1c1ccc(cc1)C(=O)O
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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 C16H11F2N3O2S MW 347.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H11F2N3O2S/c17-11-5-9(6-12(18)8-11)7-14-19-20-16(24)21(14)13-3-1-10(2-4-13)15(22)23/h1-6,8H,7H2,(H,20,24)(H,22,23)InChIKey
HMCMDRBJHHSXRC-UHFFFAOYSA-NSynonyms
1010934-17-41010934174
4(3((35difluorophenyl)methyl)5sulfanylidene1H124triazol4yl)benzoicacid
4(3(35difluorobenzyl)5thioxo15dihydro4H124triazol4yl)benzoicacid
C1=CC(=CC=C1C(=O)O)N2C(=NNC2=S)CC3=CC(=CC(=C3)F)F
Fc1cc(cc(c1)F)Cc1n(nH)c(=S)n1c1ccc(cc1)C(=O)O
InChI=1SC16H11F2N3O2Sc171159(612(18)811)714192016(24)21(14)133110(2413)15(22)23h168H7H2(H2024)(H2223)
MFCD18163658
ZINC000012324200
ZINC12324200
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