Vitas-M small molecule compound
2-{[5-(1-benzofuran-2-yl)-4-(propan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(3,4-dimethoxyphenyl)ethanone
Catalog ID
STL122458
SMILES COc1cc(ccc1OC)C(=O)CSc1nnc(n1C(C)C)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 C23H23N3O4S MW 437.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H23N3O4S/c1-14(2)26-22(21-12-16-7-5-6-8-18(16)30-21)24-25-23(26)31-13-17(27)15-9-10-19(28-3)20(11-15)29-4/h5-12,14H,13H2,1-4H3InChIKey
ZBSOGRPFQANVQK-UHFFFAOYSA-NSynonyms
2((5(1benzofuran2yl)4(propan2yl)4H124triazol3yl)sulfanyl)1(34dimethoxyphenyl)ethanone
2((5(1benzofuran2yl)4propan2yl124triazol3yl)sulfanyl)1(34dimethoxyphenyl)ethanone
CC(C)N1C(=NN=C1SCC(=O)C2=CC(=C(C=C2)OC)OC)C3=CC4=CC=CC=C4O3
InChI=1SC23H23N3O4Sc114(2)2622(211216756818(16)3021)242523(26)311317(27)1591019(283)20(1115)294h51214H13H214H3
MFCD17011667
ZINC000009595092
ZINC09595092
ZINC9595092
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