Vitas-M small molecule compound
1-{[4-(5-{[(2E)-3-phenylprop-2-en-1-yl]sulfanyl}-1,3,4-oxadiazol-2-yl)phenyl]sulfonyl}azepane
Catalog ID
STK808166
SMILES O=S(=O)(c1ccc(cc1)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(28,26-16-6-1-2-7-17-26)21-14-12-20(13-15-21)22-24-25-23(29-22)30-18-8-11-19-9-4-3-5-10-19/h3-5,8-15H,1-2,6-7,16-18H2/b11-8+InChIKey
HMQXKQVGLFMZGJ-DHZHZOJOSA-NSynonyms
912906-74-2((4(5((2E)3PHENYLPROP2ENYLTHIO)134OXADIAZOL2YL)PHENYL)SULFONYL)AZAPERHYDROEPINE
1((4(5(((2E)3phenylprop2en1yl)sulfanyl)134oxadiazol2yl)phenyl)sulfonyl)azepane
2(4(azepan1ylsulfonyl)phenyl)5((E)3phenylprop2enyl)sulfanyl134oxadiazole
912906742
C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C3=NN=C(O3)SCC=CC4=CC=CC=C4
InChI=1SC23H25N3O3S2c2731(28261661271726)21141220(131521)22242523(2922)30188111994351019h35815H12671618H2b118+
MFCD09250104
O=S(=O)(c1ccc(cc1)c1nnc(o1)SCC=Cc1ccccc1)N1CCCCCC1
ZINC000008843944
ZINC08843944
ZINC8843944
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