Vitas-M small molecule compound
4-(3-phenyl-5-thioxo-1,5-dihydro-4H-1,2,4-triazol-4-yl)benzoic acid
Catalog ID
STL333882
SMILES OC(=O)c1ccc(cc1)n1c(n[nH]c1=S)c1ccccc1
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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 C15H11N3O2S MW 297.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H11N3O2S/c19-14(20)11-6-8-12(9-7-11)18-13(16-17-15(18)21)10-4-2-1-3-5-10/h1-9H,(H,17,21)(H,19,20)InChIKey
SCJPVOFALDDQAU-UHFFFAOYSA-NSynonyms
101140-40-34(3PHENYL5SULFANYLIDENE1H124TRIAZOL4YL)BENZOICACID
4(3phenyl5thioxo15dihydro4H124triazol4yl)benzoicacid
4(3phenyl5thioxo1H124triazol4(5H)yl)benzoicacid
C1=CC=C(C=C1)C2=NNC(=S)N2C3=CC=C(C=C3)C(=O)O
InChI=1SC15H11N3O2Sc1914(20)116812(9711)1813(161715(18)21)104213510h19H(H1721)(H1920)
MFCD03291388
OC(=O)c1ccc(cc1)n1c(n(nH)c1=S)c1ccccc1
ZINC000020065615
ZINC20065615
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