Vitas-M small molecule compound
5-(5-chloro-1-benzofuran-2-yl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazole-3-thiol
Catalog ID
STK197721
SMILES C=CCn1c(S)nnc1c1cc2c(o1)ccc(c2)Cl
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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 C13H10ClN3OS MW 291.76 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H10ClN3OS/c1-2-5-17-12(15-16-13(17)19)11-7-8-6-9(14)3-4-10(8)18-11/h2-4,6-7H,1,5H2,(H,16,19)InChIKey
DWRAFHXPDJRPTE-UHFFFAOYSA-NSynonyms
3(5CHLORO1BENZOFURAN2YL)4PROP2ENYL1H124TRIAZOLE5THIONE
5(5CHLORO1BENZOFURAN2YL)4(PROP2EN1YL)4H124TRIAZOLE3THIOL
C=CCN1C(=NNC1=S)C2=CC3=C(O2)C=CC(=C3)Cl
InChI=1SC13H10ClN3OSc1251712(151613(17)19)117869(14)3410(8)1811h2467H15H2(H1619)
MFCD06665879
ZINC000006761237
ZINC06761237
ZINC6761237
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