Vitas-M small molecule compound
5-(5-bromo-1-benzofuran-2-yl)-4-ethyl-4H-1,2,4-triazole-3-thiol
Catalog ID
STK197720
SMILES CCn1c(S)nnc1c1cc2c(o1)ccc(c2)Br
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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 C12H10BrN3OS MW 324.20 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H10BrN3OS/c1-2-16-11(14-15-12(16)18)10-6-7-5-8(13)3-4-9(7)17-10/h3-6H,2H2,1H3,(H,15,18)InChIKey
RORFABJPHNOSBO-UHFFFAOYSA-NSynonyms
3(5BROMO1BENZOFURAN2YL)4ETHYL1H124TRIAZOLE5THIONE
5(5BROMO1BENZOFURAN2YL)4ETHYL4H124TRIAZOLE3THIOL
CCN1C(=NNC1=S)C2=CC3=C(O2)C=CC(=C3)Br
InChI=1SC12H10BrN3OSc121611(141512(16)18)106758(13)349(7)1710h36H2H21H3(H1518)
MFCD01647294
ZINC000004739042
ZINC04739042
ZINC4739042
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