Vitas-M small molecule compound
(5E)-1-methyl-5-[(5-nitrofuran-2-yl)methylidene]-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STK362154
SMILES CN1C(=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 C10H7N3O5S MW 281.25 g/mol Purity >90% as per NMR
InChI
InChI=1S/C10H7N3O5S/c1-12-9(15)6(8(14)11-10(12)19)4-5-2-3-7(18-5)13(16)17/h2-4H,1H3,(H,11,14,19)/b6-4+InChIKey
NTRKLJVIDXVFTF-GQCTYLIASA-NSynonyms
(5E)1METHYL5((5NITROFURAN2YL)METHYLIDENE)2SULFANYLIDENE13DIAZINANE46DIONE
(5E)1METHYL5((5NITROFURAN2YL)METHYLIDENE)2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
1METHYL5((5NITRO(2FURYL))METHYLENE)2THIOXO13DIHYDROPYRIMIDINE46DIONE
CN1C(=O)C(=CC2=CC=C(O2)(N+)(=O)(O))C(=O)NC1=S
CN1C(=S)NC(=O)C(=Cc2ccc(o2)(N+)(=O)(O))C1=O
InChI=1SC10H7N3O5Sc1129(15)6(8(14)1110(12)19)45237(185)13(16)17h24H1H3(H111419)b64+
MFCD03036910
ZINC000004525897
ZINC4525897
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