Vitas-M small molecule compound
2-{[4-ethyl-5-(7-methoxy-1-benzofuran-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-phenylethanone
Catalog ID
STK186987
SMILES COc1cccc2c1oc(c2)c1nnc(n1CC)SCC(=O)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 C21H19N3O3S MW 393.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19N3O3S/c1-3-24-20(18-12-15-10-7-11-17(26-2)19(15)27-18)22-23-21(24)28-13-16(25)14-8-5-4-6-9-14/h4-12H,3,13H2,1-2H3InChIKey
DOPPWLWECUDTPA-UHFFFAOYSA-NSynonyms
2((4ETHYL5(7METHOXY1BENZOFURAN2YL)124TRIAZOL3YL)SULFANYL)1PHENYLETHANONE
2((4ETHYL5(7METHOXY1BENZOFURAN2YL)4H124TRIAZOL3YL)SULFANYL)1PHENYLETHANONE
CCN1C(=NN=C1SCC(=O)C2=CC=CC=C2)C3=CC4=C(O3)C(=CC=C4)OC
InChI=1SC21H19N3O3Sc132420(1812151071117(262)19(15)2718)222321(24)281316(25)148546914h412H313H212H3
MFCD06630573
ZINC000002885032
ZINC02885032
ZINC2885032
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