Vitas-M small molecule compound
2-{[5-(5-bromo-1-benzofuran-2-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-methoxyphenyl)ethanone
Catalog ID
STK232396
SMILES COc1ccc(cc1)C(=O)CSc1nnc(n1C)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 C20H16BrN3O3S MW 458.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H16BrN3O3S/c1-24-19(18-10-13-9-14(21)5-8-17(13)27-18)22-23-20(24)28-11-16(25)12-3-6-15(26-2)7-4-12/h3-10H,11H2,1-2H3InChIKey
JAPYMEPRAYVGJE-UHFFFAOYSA-NSynonyms
2((5(5BROMO1BENZOFURAN2YL)4METHYL124TRIAZOL3YL)SULFANYL)1(4METHOXYPHENYL)ETHANONE
2((5(5BROMO1BENZOFURAN2YL)4METHYL4H124TRIAZOL3YL)SULFANYL)1(4METHOXYPHENYL)ETHANONE
CN1C(=NN=C1SCC(=O)C2=CC=C(C=C2)OC)C3=CC4=C(O3)C=CC(=C4)Br
InChI=1SC20H16BrN3O3Sc12419(181013914(21)5817(13)2718)222320(24)281116(25)123615(262)7412h310H11H212H3
MFCD06622692
ZINC000002868326
ZINC02868326
ZINC2868326
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