Vitas-M small molecule compound
(5E)-5-({5-[(3-methyl-4-nitrophenoxy)methyl]furan-2-yl}methylidene)-2-sulfanyl-3-(tetrahydrofuran-2-ylmethyl)-3,5-dihydro-4H-imidazol-4-one
Catalog ID
STL176176
SMILES SC1=N/C(=C/c2ccc(o2)COc2ccc(c(c2)C)[N+](=O)[O-])/C(=O)N1CC1CCCO1
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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 C21H21N3O6S MW 443.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21N3O6S/c1-13-9-14(6-7-19(13)24(26)27)29-12-17-5-4-15(30-17)10-18-20(25)23(21(31)22-18)11-16-3-2-8-28-16/h4-7,9-10,16H,2-3,8,11-12H2,1H3,(H,22,31)/b18-10+InChIKey
ZBRFSIWDDZGTIA-VCHYOVAHSA-NSynonyms
832127-04-5(5E)5((5((3methyl4nitrophenoxy)methyl)furan2yl)methylidene)2sulfanyl3(tetrahydrofuran2ylmethyl)35dihydro4Himidazol4one
(5E)5((5((3methyl4nitrophenoxy)methyl)furan2yl)methylidene)3(oxolan2ylmethyl)2sulfanylideneimidazolidin4one
832127045
CC1=C(C=CC(=C1)OCC2=CC=C(O2)C=C3C(=O)N(C(=S)N3)CC4CCCO4)(N+)(=O)(O)
InChI=1SC21H21N3O6Sc113914(6719(13)24(26)27)2912175415(3017)101820(25)23(21(31)2218)11163282816h4791016H2381112H21H3(H2231)b1810+
MFCD04135360
SC1=NC(=Cc2ccc(o2)COc2ccc(c(c2)C)(N+)(=O)(O))C(=O)N1CC1CCCO1
ZINC000002804772
ZINC000002804774
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