Vitas-M small molecule compound
(5Z)-5-{3-chloro-4-[(4-nitrobenzyl)oxy]benzylidene}-3-ethyl-1-methyl-2-thioxoimidazolidin-4-one
Catalog ID
STL369644
SMILES CCN1C(=O)/C(=C/c2ccc(c(c2)Cl)OCc2ccc(cc2)[N+](=O)[O-])/N(C1=S)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 C20H18ClN3O4S MW 431.90 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18ClN3O4S/c1-3-23-19(25)17(22(2)20(23)29)11-14-6-9-18(16(21)10-14)28-12-13-4-7-15(8-5-13)24(26)27/h4-11H,3,12H2,1-2H3/b17-11-InChIKey
PCTYUKYBNMYKLK-BOPFTXTBSA-NSynonyms
(5Z)5((3CHLORO4((4NITROPHENYL)METHOXY)PHENYL)METHYLIDENE)3ETHYL1METHYL2SULFANYLIDENEIMIDAZOLIDIN4ONE
(5Z)5(3chloro4((4nitrobenzyl)oxy)benzylidene)3ethyl1methyl2thioxoimidazolidin4one
CCN1C(=O)C(=CC2=CC(=C(C=C2)OCC3=CC=C(C=C3)(N+)(=O)(O))Cl)N(C1=S)C
CCN1C(=O)C(=Cc2ccc(c(c2)Cl)OCc2ccc(cc2)(N+)(=O)(O))N(C1=S)C
InChI=1SC20H18ClN3O4Sc132319(25)17(22(2)20(23)29)11146918(16(21)1014)2812134715(8513)24(26)27h411H312H212H3b1711
MFCD03715943
ZINC000002818734
ZINC02818734
ZINC2818734
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