Vitas-M small molecule compound
(5Z)-1-ethyl-5-[(5-nitrofuran-2-yl)methylidene]-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STK997240
SMILES CCN1C(=S)NC(=O)/C(=C/c2ccc(o2)[N+](=O)[O-])/C1=O
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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 C11H9N3O5S MW 295.28 g/mol Purity >90% as per NMR
InChI
InChI=1S/C11H9N3O5S/c1-2-13-10(16)7(9(15)12-11(13)20)5-6-3-4-8(19-6)14(17)18/h3-5H,2H2,1H3,(H,12,15,20)/b7-5-InChIKey
PNKUUAIIDWCSIW-ALCCZGGFSA-NSynonyms
383886-22-4(5Z)1ETHYL5((5NITROFURAN2YL)METHYLIDENE)2SULFANYLIDENE13DIAZINANE46DIONE
(5Z)1ethyl5((5nitrofuran2yl)methylidene)2thioxodihydropyrimidine46(1H5H)dione
(Z)1ethyl5((5nitrofuran2yl)methylene)2thioxodihydropyrimidine46(1H5H)dione
383886224
CCN1C(=O)C(=CC2=CC=C(O2)(N+)(=O)(O))C(=O)NC1=S
CCN1C(=S)NC(=O)C(=Cc2ccc(o2)(N+)(=O)(O))C1=O
InChI=1SC11H9N3O5Sc121310(16)7(9(15)1211(13)20)56348(196)14(17)18h35H2H21H3(H121520)b75
MFCD01943293
ZINC000005254509
ZINC05254509
ZINC5254509
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