Vitas-M small molecule compound
(5Z)-5-{3-chloro-5-methoxy-4-[(4-nitrobenzyl)oxy]benzylidene}-3-ethyl-1-methyl-2-thioxoimidazolidin-4-one
Catalog ID
STL369707
SMILES CCN1C(=S)N(/C(=C\c2cc(Cl)c(c(c2)OC)OCc2ccc(cc2)[N+](=O)[O-])/C1=O)C
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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 C21H20ClN3O5S MW 461.93 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20ClN3O5S/c1-4-24-20(26)17(23(2)21(24)31)10-14-9-16(22)19(18(11-14)29-3)30-12-13-5-7-15(8-6-13)25(27)28/h5-11H,4,12H2,1-3H3/b17-10-InChIKey
IEAVHGUOOCYJPK-YVLHZVERSA-NSynonyms
(5Z)5((3CHLORO5METHOXY4((4NITROPHENYL)METHOXY)PHENYL)METHYLIDENE)3ETHYL1METHYL2SULFANYLIDENEIMIDAZOLIDIN4ONE
(5Z)5(3chloro5methoxy4((4nitrobenzyl)oxy)benzylidene)3ethyl1methyl2thioxoimidazolidin4one
CCN1C(=O)C(=CC2=CC(=C(C(=C2)Cl)OCC3=CC=C(C=C3)(N+)(=O)(O))OC)N(C1=S)C
CCN1C(=S)N(C(=Cc2cc(Cl)c(c(c2)OC)OCc2ccc(cc2)(N+)(=O)(O))C1=O)C
InChI=1SC21H20ClN3O5Sc142420(26)17(23(2)21(24)31)1014916(22)19(18(1114)293)3012135715(8613)25(27)28h511H412H213H3b1710
MFCD03716607
ZINC000001114902
ZINC01114902
ZINC1114902
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