Vitas-M small molecule compound
5-{[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylidene}-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione
Catalog ID
STK174988
SMILES O=C1N(C)C(=O)C(=Cc2ccc(o2)c2cc(ccc2Cl)[N+](=O)[O-])C(=O)N1C
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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 C17H12ClN3O6 MW 389.75 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H12ClN3O6/c1-19-15(22)12(16(23)20(2)17(19)24)8-10-4-6-14(27-10)11-7-9(21(25)26)3-5-13(11)18/h3-8H,1-2H3InChIKey
WKASQMYZMXBNLY-UHFFFAOYSA-NSynonyms
311328-21-9311328219
5((5(2chloro5nitrophenyl)furan2yl)methylene)13dimethylpyrimidine246(1H3H5H)trione
5((5(2CHLORO5NITROPHENYL)FURAN2YL)METHYLIDENE)13DIMETHYL13DIAZINANE246TRIONE
5((5(2CHLORO5NITROPHENYL)FURAN2YL)METHYLIDENE)13DIMETHYLPYRIMIDINE246(1H3H5H)TRIONE
CN1C(=O)C(=CC2=CC=C(O2)C3=C(C=CC(=C3)(N+)(=O)(O))Cl)C(=O)N(C1=O)C
InChI=1SC17H12ClN3O6c11915(22)12(16(23)20(2)17(19)24)8104614(2710)1179(21(25)26)3513(11)18h38H12H3
MFCD00809193
O=C1N(C)C(=O)C(=Cc2ccc(o2)c2cc(ccc2Cl)(N+)(=O)(O))C(=O)N1C
ZINC000003109045
ZINC03109045
ZINC3109045
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