Vitas-M small molecule compound
1-({2-[3-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-3-methyl-1-benzofuran-5-yl}sulfonyl)azepane
Catalog ID
STL141853
SMILES COc1cc(OC)cc(c1)c1noc(n1)c1oc2c(c1C)cc(cc2)S(=O)(=O)N1CCCCCC1
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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 C25H27N3O6S MW 497.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H27N3O6S/c1-16-21-15-20(35(29,30)28-10-6-4-5-7-11-28)8-9-22(21)33-23(16)25-26-24(27-34-25)17-12-18(31-2)14-19(13-17)32-3/h8-9,12-15H,4-7,10-11H2,1-3H3InChIKey
RNBQJIIYAZKBHR-UHFFFAOYSA-NSynonyms
1((2(3(35dimethoxyphenyl)124oxadiazol5yl)3methyl1benzofuran5yl)sulfonyl)azepane
5(5(azepan1ylsulfonyl)3methyl1benzofuran2yl)3(35dimethoxyphenyl)124oxadiazole
CC1=C(OC2=C1C=C(C=C2)S(=O)(=O)N3CCCCCC3)C4=NC(=NO4)C5=CC(=CC(=C5)OC)OC
InChI=1SC25H27N3O6Sc116211520(35(2930)281064571128)8922(21)3323(16)252624(273425)171218(312)1419(1317)323h891215H471011H213H3
MFCD20734683
ZINC000064948540
ZINC64948540
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