Vitas-M small molecule compound
4-[3-(tetrahydrofuran-2-yl)-5-thioxo-1,5-dihydro-4H-1,2,4-triazol-4-yl]benzoic acid
Catalog ID
STK634391
SMILES OC(=O)c1ccc(cc1)n1c(=S)[nH]nc1C1CCCO1
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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 C13H13N3O3S MW 291.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H13N3O3S/c17-12(18)8-3-5-9(6-4-8)16-11(14-15-13(16)20)10-2-1-7-19-10/h3-6,10H,1-2,7H2,(H,15,20)(H,17,18)InChIKey
SJLSOYZKGDVXEO-UHFFFAOYSA-NSynonyms
1040701-05-01040701050
4(3(oxolan2yl)5sulfanylidene1H124triazol4yl)benzoicacid
4(3(tetrahydrofuran2yl)5thioxo15dihydro4H124triazol4yl)benzoicacid
C1CC(OC1)C2=NNC(=S)N2C3=CC=C(C=C3)C(=O)O
InChI=1SC13H13N3O3Sc1712(18)8359(648)1611(141513(16)20)102171910h3610H127H2(H1520)(H1718)
MFCD18160379
OC(=O)c1ccc(cc1)n1c(=S)(nH)nc1C1CCCO1
ZINC000020718165
ZINC000020718168
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