Vitas-M small molecule compound
1-[(4-{5-[(4-nitrobenzyl)sulfanyl]-1,3,4-oxadiazol-2-yl}phenyl)sulfonyl]azepane
Catalog ID
STK808162
SMILES [O-][N+](=O)c1ccc(cc1)CSc1nnc(o1)c1ccc(cc1)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 C21H22N4O5S2 MW 474.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22N4O5S2/c26-25(27)18-9-5-16(6-10-18)15-31-21-23-22-20(30-21)17-7-11-19(12-8-17)32(28,29)24-13-3-1-2-4-14-24/h5-12H,1-4,13-15H2InChIKey
CWITZMAXFAZLIB-UHFFFAOYSA-NSynonyms
923192-20-5((4(5((4NITROPHENYL)METHYLTHIO)134OXADIAZOL2YL)PHENYL)SULFONYL)AZAPERHYDROEPINE
(O)(N+)(=O)c1ccc(cc1)CSc1nnc(o1)c1ccc(cc1)S(=O)(=O)N1CCCCCC1
1((4(5((4nitrobenzyl)sulfanyl)134oxadiazol2yl)phenyl)sulfonyl)azepane
2(4(AZEPAN1YLSULFONYL)PHENYL)5((4NITROBENZYL)THIO)134OXADIAZOLE
2(4(azepan1ylsulfonyl)phenyl)5((4nitrophenyl)methylsulfanyl)134oxadiazole
923192205
C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C3=NN=C(O3)SCC4=CC=C(C=C4)(N+)(=O)(O)
InChI=1SC21H22N4O5S2c2625(27)189516(61018)153121232220(3021)1771119(12817)32(2829)241331241424h512H141315H2
MFCD08543327
ZINC000009764111
ZINC09764111
ZINC9764111
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