Vitas-M small molecule compound
2-{[5-(1-benzofuran-2-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[4-(propan-2-yl)phenyl]acetamide
Catalog ID
STL364263
SMILES O=C(Nc1ccc(cc1)C(C)C)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 C22H22N4O2S MW 406.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22N4O2S/c1-14(2)15-8-10-17(11-9-15)23-20(27)13-29-22-25-24-21(26(22)3)19-12-16-6-4-5-7-18(16)28-19/h4-12,14H,13H2,1-3H3,(H,23,27)InChIKey
QMEGJQQFLCWIGM-UHFFFAOYSA-NSynonyms
2((5(1benzofuran2yl)4methyl124triazol3yl)sulfanyl)N(4propan2ylphenyl)acetamide
2((5(1benzofuran2yl)4methyl4H124triazol3yl)sulfanyl)N(4(propan2yl)phenyl)acetamide
CC(C)C1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2C)C3=CC4=CC=CC=C4O3
InChI=1SC22H22N4O2Sc114(2)1581017(11915)2320(27)132922252421(26(22)3)191216645718(16)2819h41214H13H213H3(H2327)
MFCD04391746
ZINC000006307440
ZINC06307440
ZINC6307440
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