Vitas-M small molecule compound

4-hydroxy-6-[5-(3-nitrophenyl)furan-2-yl]-5-(phenylcarbonyl)-4-(trifluoromethyl)tetrahydropyrimidin-2(1H)-one

Catalog ID
STK876925
SMILES O=C1NC(c2ccc(o2)c2cccc(c2)[N+](=O)[O-])C(C(N1)(O)C(F)(F)F)C(=O)c1ccccc1

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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 C22H16F3N3O6 MW 475.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H16F3N3O6/c23-22(24,25)21(31)17(19(29)12-5-2-1-3-6-12)18(26-20(30)27-21)16-10-9-15(34-16)13-7-4-8-14(11-13)28(32)33/h1-11,17-18,31H,(H2,26,27,30)
InChIKey
SWDHZKXTZGDMIV-UHFFFAOYSA-N
Synonyms
474255-19-1
474255191
4HYDROXY6(5(3NITROPHENYL)(2FURYL))5(PHENYLCARBONYL)4(TRIFLUOROMETHYL)13DIAZAPERHYDROIN2ONE
4hydroxy6(5(3nitrophenyl)furan2yl)5(phenylcarbonyl)4(trifluoromethyl)tetrahydropyrimidin2(1H)one
5BENZOYL4HYDROXY6(5(3NITROPHENYL)FURAN2YL)4(TRIFLUOROMETHYL)13DIAZINAN2ONE
5benzoyl4hydroxy6(5(3nitrophenyl)furan2yl)4(trifluoromethyl)tetrahydropyrimidin2(1H)one
C1=CC=C(C=C1)C(=O)C2C(NC(=O)NC2(C(F)(F)F)O)C3=CC=C(O3)C4=CC(=CC=C4)(N+)(=O)(O)
InChI=1SC22H16F3N3O6c2322(2425)21(31)17(19(29)125213612)18(2620(30)2721)1610915(3416)1374814(1113)28(32)33h111171831H(H2262730)
MFCD03286447
O=C1NC(c2ccc(o2)c2cccc(c2)(N+)(=O)(O))C(C(N1)(O)C(F)(F)F)C(=O)c1ccccc1
ZINC000008915356
ZINC000169703571

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.