Vitas-M small molecule compound
4-[3-(pyrazin-2-yl)-5-thioxo-1,5-dihydro-4H-1,2,4-triazol-4-yl]benzoic acid
Catalog ID
STL038330
SMILES OC(=O)c1ccc(cc1)n1c(n[nH]c1=S)c1nccnc1
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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)8-1-3-9(4-2-8)18-11(16-17-13(18)21)10-7-14-5-6-15-10/h1-7H,(H,17,21)(H,19,20)InChIKey
JLSYTBJCWRCOBP-UHFFFAOYSA-NSynonyms
573708-24-44(3(pyrazin2yl)5thioxo15dihydro4H124triazol4yl)benzoicacid
4(3PYRAZIN2YL5SULFANYLIDENE1H124TRIAZOL4YL)BENZOICACID
573708244
C1=CC(=CC=C1C(=O)O)N2C(=NNC2=S)C3=NC=CN=C3
InChI=1SC13H9N5O2Sc1912(20)8139(428)1811(161713(18)21)10714561510h17H(H1721)(H1920)
MFCD04076676
OC(=O)c1ccc(cc1)n1c(n(nH)c1=S)c1nccnc1
ZINC000005927135
ZINC5927135
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