Vitas-M small molecule compound
1-({3-methyl-2-[3-(pyridin-4-yl)-1,2,4-oxadiazol-5-yl]-1-benzofuran-5-yl}sulfonyl)azepane
Catalog ID
STL141851
SMILES Cc1c(oc2c1cc(cc2)S(=O)(=O)N1CCCCCC1)c1onc(n1)c1ccncc1
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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 C22H22N4O4S MW 438.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22N4O4S/c1-15-18-14-17(31(27,28)26-12-4-2-3-5-13-26)6-7-19(18)29-20(15)22-24-21(25-30-22)16-8-10-23-11-9-16/h6-11,14H,2-5,12-13H2,1H3InChIKey
MFFNKOGPHCYSCC-UHFFFAOYSA-NSynonyms
1((3methyl2(3(pyridin4yl)124oxadiazol5yl)1benzofuran5yl)sulfonyl)azepane
1((3METHYL2(3PYRIDIN4YL124OXADIAZOL5YL)1BENZOFURAN5YL)SULFONYL)AZEPANE
5(5(azepan1ylsulfonyl)3methyl1benzofuran2yl)3pyridin4yl124oxadiazole
CC1=C(OC2=C1C=C(C=C2)S(=O)(=O)N3CCCCCC3)C4=NC(=NO4)C5=CC=NC=C5
InChI=1SC22H22N4O4Sc115181417(31(2728)261242351326)6719(18)2920(15)222421(253022)168102311916h61114H251213H21H3
MFCD20734682
ZINC000064948539
ZINC64948539
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