Vitas-M small molecule compound
2-chloro-5-[3-(pyrazin-2-yl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]benzoic acid
Catalog ID
STK335809
SMILES Sc1nnc(n1c1ccc(c(c1)C(=O)O)Cl)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 C13H8ClN5O2S MW 333.76 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H8ClN5O2S/c14-9-2-1-7(5-8(9)12(20)21)19-11(17-18-13(19)22)10-6-15-3-4-16-10/h1-6H,(H,18,22)(H,20,21)InChIKey
GKZKDRQJWQJTRL-UHFFFAOYSA-NSynonyms
838880-91-42chloro5(3(pyrazin2yl)5sulfanyl4H124triazol4yl)benzoicacid
2chloro5(3mercapto5(pyrazin2yl)4H124triazol4yl)benzoicacid
2CHLORO5(3PYRAZIN2YL5SULFANYLIDENE1H124TRIAZOL4YL)BENZOICACID
838880914
C1=CC(=C(C=C1N2C(=NNC2=S)C3=NC=CN=C3)C(=O)O)Cl
InChI=1SC13H8ClN5O2Sc149217(58(9)12(20)21)1911(171813(19)22)10615341610h16H(H1822)(H2021)
MFCD06597797
ZINC5804403
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