Vitas-M small molecule compound
2-[(E)-{[3-(pyridin-3-yl)-5-thioxo-1,5-dihydro-4H-1,2,4-triazol-4-yl]imino}methyl]benzoic acid
Catalog ID
STL039473
SMILES OC(=O)c1ccccc1/C=N/n1c(=S)[nH]nc1c1cccnc1
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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 C15H11N5O2S MW 325.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H11N5O2S/c21-14(22)12-6-2-1-4-10(12)9-17-20-13(18-19-15(20)23)11-5-3-7-16-8-11/h1-9H,(H,19,23)(H,21,22)/b17-9+InChIKey
AODBFMRPXXWURZ-RQZCQDPDSA-NSynonyms
489425-70-92((1E)2(5(3PYRIDYL)3SULFANYL(124TRIAZOL4YL))2AZAVINYL)BENZOICACID
2((E)((3(pyridin3yl)5thioxo15dihydro4H124triazol4yl)imino)methyl)benzoicacid
2((E)(3PYRIDIN3YL5SULFANYLIDENE1H124TRIAZOL4YL)IMINOMETHYL)BENZOICACID
489425709
C1=CC=C(C(=C1)C=NN2C(=NNC2=S)C3=CN=CC=C3)C(=O)O
InChI=1SC15H11N5O2Sc2114(22)12621410(12)9172013(181915(20)23)1153716811h19H(H1923)(H2122)b179+
MFCD03796618
OC(=O)c1ccccc1C=Nn1c(=S)(nH)nc1c1cccnc1
ZINC000001296643
ZINC1475363
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