Vitas-M small molecule compound
2-{[5-(1-benzofuran-2-yl)-4-benzyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-methylpiperidin-1-yl)ethanone
Catalog ID
STL405962
SMILES CC1CCN(CC1)C(=O)CSc1nnc(n1Cc1ccccc1)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 C25H26N4O2S MW 446.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H26N4O2S/c1-18-11-13-28(14-12-18)23(30)17-32-25-27-26-24(29(25)16-19-7-3-2-4-8-19)22-15-20-9-5-6-10-21(20)31-22/h2-10,15,18H,11-14,16-17H2,1H3InChIKey
GLQSXGJFYNDSAC-UHFFFAOYSA-NSynonyms
2((5(1benzofuran2yl)4benzyl124triazol3yl)sulfanyl)1(4methylpiperidin1yl)ethanone
2((5(1benzofuran2yl)4benzyl4H124triazol3yl)sulfanyl)1(4methylpiperidin1yl)ethanone
CC1CCN(CC1)C(=O)CSC2=NN=C(N2CC3=CC=CC=C3)C4=CC5=CC=CC=C5O4
InChI=1SC25H26N4O2Sc118111328(141218)23(30)173225272624(29(25)16197324819)2215209561021(20)3122h2101518H11141617H21H3
MFCD27222546
ZINC000020193783
ZINC20193783
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