Vitas-M small molecule compound
3-[3-(pyrazin-2-yl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]benzoic acid
Catalog ID
STK328686
SMILES OC(=O)c1cccc(c1)n1c(S)nnc1c1nccnc1
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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 C13H9N5O2S MW 299.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H9N5O2S/c19-12(20)8-2-1-3-9(6-8)18-11(16-17-13(18)21)10-7-14-4-5-15-10/h1-7H,(H,17,21)(H,19,20)InChIKey
CKGYBILOKMZKOF-UHFFFAOYSA-NSynonyms
838875-33-53(3(pyrazin2yl)5sulfanyl4H124triazol4yl)benzoicacid
3(3MERCAPTO5(2PYRAZINYL)4H124TRIAZOL4YL)BENZOICACID
3(3mercapto5(pyrazin2yl)4H124triazol4yl)benzoicacid
3(3PYRAZIN2YL5SULFANYLIDENE1H124TRIAZOL4YL)BENZOICACID
838875335
C1=CC(=CC(=C1)N2C(=NNC2=S)C3=NC=CN=C3)C(=O)O
InChI=1SC13H9N5O2Sc1912(20)82139(68)1811(161713(18)21)10714451510h17H(H1721)(H1920)
MFCD06598103
ZINC5804434
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