Vitas-M small molecule compound
1-{[3-(5-{[(2E)-3-phenylprop-2-en-1-yl]sulfanyl}-1,3,4-oxadiazol-2-yl)phenyl]sulfonyl}azepane
Catalog ID
STK808192
SMILES O=S(=O)(c1cccc(c1)c1nnc(o1)SC/C=C/c1ccccc1)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 C23H25N3O3S2 MW 455.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H25N3O3S2/c27-31(28,26-15-6-1-2-7-16-26)21-14-8-13-20(18-21)22-24-25-23(29-22)30-17-9-12-19-10-4-3-5-11-19/h3-5,8-14,18H,1-2,6-7,15-17H2/b12-9+InChIKey
OQCWNPGTGBHRAQ-FMIVXFBMSA-NSynonyms
912906-60-6((3(5((2E)3PHENYLPROP2ENYLTHIO)134OXADIAZOL2YL)PHENYL)SULFONYL)AZAPERHYDROEPINE
1((3(5(((2E)3phenylprop2en1yl)sulfanyl)134oxadiazol2yl)phenyl)sulfonyl)azepane
2(3(azepan1ylsulfonyl)phenyl)5((E)3phenylprop2enyl)sulfanyl134oxadiazole
912906606
C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C3=NN=C(O3)SCC=CC4=CC=CC=C4
InChI=1SC23H25N3O3S2c2731(28261561271626)211481320(1821)22242523(2922)301791219104351119h3581418H12671517H2b129+
MFCD09250119
O=S(=O)(c1cccc(c1)c1nnc(o1)SCC=Cc1ccccc1)N1CCCCCC1
ZINC000008843960
ZINC08843960
ZINC8843960
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