Vitas-M small molecule compound
(5E)-1-(3-fluorophenyl)-5-{[5-(2-methoxy-4-nitrophenyl)furan-2-yl]methylidene}pyrimidine-2,4,6(1H,3H,5H)-trione
Catalog ID
STK170156
SMILES COc1cc(ccc1c1ccc(o1)/C=C/1\C(=O)NC(=O)N(C1=O)c1cccc(c1)F)[N+](=O)[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 C22H14FN3O7 MW 451.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H14FN3O7/c1-32-19-10-14(26(30)31)5-7-16(19)18-8-6-15(33-18)11-17-20(27)24-22(29)25(21(17)28)13-4-2-3-12(23)9-13/h2-11H,1H3,(H,24,27,29)/b17-11+InChIKey
CJJXJUIXAXUHPJ-GZTJUZNOSA-NSynonyms
(5E)1(3fluorophenyl)5((5(2methoxy4nitrophenyl)furan2yl)methylidene)13diazinane246trione
(5E)1(3FLUOROPHENYL)5((5(2METHOXY4NITROPHENYL)FURAN2YL)METHYLIDENE)PYRIMIDINE246(1H3H5H)TRIONE
COC1=C(C=CC(=C1)(N+)(=O)(O))C2=CC=C(O2)C=C3C(=O)NC(=O)N(C3=O)C4=CC(=CC=C4)F
COc1cc(ccc1c1ccc(o1)C=C1C(=O)NC(=O)N(C1=O)c1cccc(c1)F)(N+)(=O)(O)
InChI=1SC22H14FN3O7c132191014(26(30)31)5716(19)188615(3318)111720(27)2422(29)25(21(17)28)1342312(23)913h211H1H3(H242729)b1711+
MFCD04307905
ZINC000009260007
ZINC9260007
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