Vitas-M small molecule compound
2-{[4-ethyl-5-(7-methoxy-1-benzofuran-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-methoxyphenyl)ethanone
Catalog ID
STK186945
SMILES COc1ccc(cc1)C(=O)CSc1nnc(n1CC)c1cc2c(o1)c(OC)ccc2
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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 C22H21N3O4S MW 423.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21N3O4S/c1-4-25-21(19-12-15-6-5-7-18(28-3)20(15)29-19)23-24-22(25)30-13-17(26)14-8-10-16(27-2)11-9-14/h5-12H,4,13H2,1-3H3InChIKey
IBUFVSFOWYKHDT-UHFFFAOYSA-NSynonyms
2((4ETHYL5(7METHOXY1BENZOFURAN2YL)124TRIAZOL3YL)SULFANYL)1(4METHOXYPHENYL)ETHANONE
2((4ETHYL5(7METHOXY1BENZOFURAN2YL)4H124TRIAZOL3YL)SULFANYL)1(4METHOXYPHENYL)ETHANONE
CCN1C(=NN=C1SCC(=O)C2=CC=C(C=C2)OC)C3=CC4=C(O3)C(=CC=C4)OC
InChI=1SC22H21N3O4Sc142521(19121565718(283)20(15)2919)232422(25)301317(26)1481016(272)11914h512H413H213H3
MFCD06006240
ZINC000001061371
ZINC01061371
ZINC1061371
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