Vitas-M small molecule compound
(5E)-5-[(2E)-3-(2-nitrophenyl)prop-2-en-1-ylidene]-2-thioxoimidazolidin-4-one
Catalog ID
STK296455
SMILES S=C1NC(=O)/C(=C\C=C\c2ccccc2[N+](=O)[O-])/N1
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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 C12H9N3O3S MW 275.29 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H9N3O3S/c16-11-9(13-12(19)14-11)6-3-5-8-4-1-2-7-10(8)15(17)18/h1-7H,(H2,13,14,16,19)/b5-3+,9-6+InChIKey
XLIKLFLTCXHQKN-USXIXMCRSA-NSynonyms
(5E)5((2E)3(2nitrophenyl)prop2en1ylidene)2thioxoimidazolidin4one
(5E)5((E)3(2NITROPHENYL)PROP2ENYLIDENE)2SULFANYLIDENEIMIDAZOLIDIN4ONE
5((2E)3(2NITROPHENYL)PROP2ENYLIDENE)2THIOXO13DIAZOLIDIN4ONE
C1=CC=C(C(=C1)C=CC=C2C(=O)NC(=S)N2)(N+)(=O)(O)
InChI=1SC12H9N3O3Sc16119(1312(19)1411)6358412710(8)15(17)18h17H(H213141619)b53+96+
MFCD02109026
S=C1NC(=O)C(=CC=Cc2ccccc2(N+)(=O)(O))N1
ZINC000100475087
ZINC100475087
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