Vitas-M small molecule compound
1-({3-methyl-2-[3-(thiophen-2-yl)-1,2,4-oxadiazol-5-yl]-1-benzofuran-5-yl}sulfonyl)azepane
Catalog ID
STL141852
SMILES Cc1c(oc2c1cc(cc2)S(=O)(=O)N1CCCCCC1)c1onc(n1)c1cccs1
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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 C21H21N3O4S2 MW 443.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21N3O4S2/c1-14-16-13-15(30(25,26)24-10-4-2-3-5-11-24)8-9-17(16)27-19(14)21-22-20(23-28-21)18-7-6-12-29-18/h6-9,12-13H,2-5,10-11H2,1H3InChIKey
YUWCPVRXAXCQIX-UHFFFAOYSA-NSynonyms
1207048-56-31((3METHYL2(3(2THIENYL)124OXADIAZOL5YL)1BENZOFURAN5YL)SULFONYL)AZEPANE
1((3methyl2(3(thiophen2yl)124oxadiazol5yl)1benzofuran5yl)sulfonyl)azepane
1207048563
5(5(azepan1ylsulfonyl)3methyl1benzofuran2yl)3thiophen2yl124oxadiazole
5(5(AZEPAN1YLSULFONYL)3METHYLBENZOFURAN2YL)3(THIOPHEN2YL)124OXADIAZOLE
CC1=C(OC2=C1C=C(C=C2)S(=O)(=O)N3CCCCCC3)C4=NC(=NO4)C5=CC=CS5
InChI=1SC21H21N3O4S2c114161315(30(2526)241042351124)8917(16)2719(14)212220(232821)1876122918h691213H251011H21H3
MFCD16638562
ZINC000038487769
ZINC38487769
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