Vitas-M small molecule compound
2-{[5-(1-benzofuran-2-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone
Catalog ID
STK267276
SMILES Fc1ccc(cc1)N1CCN(CC1)C(=O)CSc1nnc(n1C)c1cc2c(o1)cccc2
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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 C23H22FN5O2S MW 451.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H22FN5O2S/c1-27-22(20-14-16-4-2-3-5-19(16)31-20)25-26-23(27)32-15-21(30)29-12-10-28(11-13-29)18-8-6-17(24)7-9-18/h2-9,14H,10-13,15H2,1H3InChIKey
YMSRBJWXSZBUCY-UHFFFAOYSA-NSynonyms
2((5(1benzofuran2yl)4methyl124triazol3yl)sulfanyl)1(4(4fluorophenyl)piperazin1yl)ethanone
2((5(1benzofuran2yl)4methyl4H124triazol3yl)sulfanyl)1(4(4fluorophenyl)piperazin1yl)ethanone
2(5BENZOFURAN2YL4METHYL4H(124)TRIAZOL3YLSULFANYL)1(4(4FLUOROPHENYL)PIPERAZIN1YL)ETHANONE
CN1C(=NN=C1SCC(=O)N2CCN(CC2)C3=CC=C(C=C3)F)C4=CC5=CC=CC=C5O4
InChI=1SC23H22FN5O2Sc12722(201416423519(16)3120)252623(27)321521(30)29121028(111329)188617(24)7918h2914H101315H21H3
MFCD09267913
ZINC000009526196
ZINC09526196
ZINC9526196
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