Vitas-M small molecule compound
2-{[5-(5-bromo-1-benzofuran-2-yl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-methoxyphenyl)ethanone
Catalog ID
STK218544
SMILES COc1ccc(cc1)C(=O)CSc1nnc(n1CC)c1cc2c(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 C21H18BrN3O3S MW 472.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18BrN3O3S/c1-3-25-20(19-11-14-10-15(22)6-9-18(14)28-19)23-24-21(25)29-12-17(26)13-4-7-16(27-2)8-5-13/h4-11H,3,12H2,1-2H3InChIKey
IAFMLOPMNLOJCA-UHFFFAOYSA-NSynonyms
2((5(5BROMO1BENZOFURAN2YL)4ETHYL124TRIAZOL3YL)SULFANYL)1(4METHOXYPHENYL)ETHANONE
2((5(5BROMO1BENZOFURAN2YL)4ETHYL4H124TRIAZOL3YL)SULFANYL)1(4METHOXYPHENYL)ETHANONE
CCN1C(=NN=C1SCC(=O)C2=CC=C(C=C2)OC)C3=CC4=C(O3)C=CC(=C4)Br
InChI=1SC21H18BrN3O3Sc132520(1911141015(22)6918(14)2819)232421(25)291217(26)134716(272)8513h411H312H212H3
MFCD06007199
ZINC000001065998
ZINC01065998
ZINC1065998
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