Vitas-M small molecule compound
4-({[4-ethyl-5-(7-methoxy-1-benzofuran-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)benzonitrile
Catalog ID
STK278656
SMILES COc1cccc2c1oc(c2)c1nnc(n1CC)SCC(=O)c1ccc(cc1)C#N
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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 C22H18N4O3S MW 418.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H18N4O3S/c1-3-26-21(19-11-16-5-4-6-18(28-2)20(16)29-19)24-25-22(26)30-13-17(27)15-9-7-14(12-23)8-10-15/h4-11H,3,13H2,1-2H3InChIKey
WAYMZVNVAKLXSI-UHFFFAOYSA-NSynonyms
4(((4ETHYL5(7METHOXY1BENZOFURAN2YL)4H124TRIAZOL3YL)SULFANYL)ACETYL)BENZONITRILE
4(2((4ethyl5(7methoxy1benzofuran2yl)124triazol3yl)sulfanyl)acetyl)benzonitrile
4(2(4ETHYL5(7METHOXYBENZOFURAN2YL)4H(124)TRIAZOL3YLSULFANYL)ACETYL)BENZONITRILE
CCN1C(=NN=C1SCC(=O)C2=CC=C(C=C2)C#N)C3=CC4=C(O3)C(=CC=C4)OC
InChI=1SC22H18N4O3Sc132621(19111654618(282)20(16)2919)242522(26)301317(27)159714(1223)81015h411H313H212H3
MFCD09269443
ZINC000009095798
ZINC09095798
ZINC9095798
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