Vitas-M small molecule compound
1,3-diethyl-5-[(5-nitrofuran-2-yl)methylidene]-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STK191588
SMILES CCN1C(=S)N(CC)C(=O)C(=Cc2ccc(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 C13H13N3O5S MW 323.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H13N3O5S/c1-3-14-11(17)9(12(18)15(4-2)13(14)22)7-8-5-6-10(21-8)16(19)20/h5-7H,3-4H2,1-2H3InChIKey
XOGVYFGTWPFEQC-UHFFFAOYSA-NSynonyms
38307-84-513DIETHYL5((5NITROFURAN2YL)METHYLIDENE)2SULFANYLIDENE13DIAZINANE46DIONE
13DIETHYL5((5NITROFURAN2YL)METHYLIDENE)2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
38307845
CCN1C(=O)C(=CC2=CC=C(O2)(N+)(=O)(O))C(=O)N(C1=S)CC
CCN1C(=S)N(CC)C(=O)C(=Cc2ccc(o2)(N+)(=O)(O))C1=O
InChI=1SC13H13N3O5Sc131411(17)9(12(18)15(42)13(14)22)785610(218)16(19)20h57H34H212H3
MFCD02212900
ZINC000000447001
ZINC00447001
ZINC447001
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