Vitas-M small molecule compound
1-({4-[5-(benzylsulfanyl)-1,3,4-oxadiazol-2-yl]phenyl}sulfonyl)azepane
Catalog ID
STK808159
SMILES O=S(=O)(c1ccc(cc1)c1nnc(o1)SCc1ccccc1)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 C21H23N3O3S2 MW 429.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23N3O3S2/c25-29(26,24-14-6-1-2-7-15-24)19-12-10-18(11-13-19)20-22-23-21(27-20)28-16-17-8-4-3-5-9-17/h3-5,8-13H,1-2,6-7,14-16H2InChIKey
QFOXJJLQTOHSLC-UHFFFAOYSA-NSynonyms
((4(5(PHENYLMETHYLTHIO)134OXADIAZOL2YL)PHENYL)SULFONYL)AZAPERHYDROEPINE
1((4(5(benzylsulfanyl)134oxadiazol2yl)phenyl)sulfonyl)azepane
2(4(azepan1ylsulfonyl)phenyl)5benzylsulfanyl134oxadiazole
C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C3=NN=C(O3)SCC4=CC=CC=C4
InChI=1SC21H23N3O3S2c2529(26241461271524)19121018(111319)20222321(2720)2816178435917h35813H12671416H2
MFCD08543324
ZINC000023994096
ZINC23994096
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