Vitas-M small molecule compound

1,6-dimethyl-5-nitro-4-[2-(trifluoromethyl)phenyl]-3,4-dihydropyrimidin-2(1H)-one

Catalog ID
STL036660
SMILES O=C1NC(C(=C(N1C)C)[N+](=O)[O-])c1ccccc1C(F)(F)F

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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 C13H12F3N3O3 MW 315.25 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H12F3N3O3/c1-7-11(19(21)22)10(17-12(20)18(7)2)8-5-3-4-6-9(8)13(14,15)16/h3-6,10H,1-2H3,(H,17,20)
InChIKey
UEABLMDXZTYDMA-UHFFFAOYSA-N
Synonyms
159587-46-9
159587469
16dimethyl5nitro4(2(trifluoromethyl)phenyl)34dihydropyrimidin2(1H)one
16DIMETHYL5NITRO4(2TRIFLUOROMETHYLPHENYL)34DIHYDRO1HPYRIMIDIN2ONE
34DIMETHYL5NITRO6(2(TRIFLUOROMETHYL)PHENYL)16DIHYDROPYRIMIDIN2ONE
CC1=C(C(NC(=O)N1C)C2=CC=CC=C2C(F)(F)F)(N+)(=O)(O)
InChI=1SC13H12F3N3O3c1711(19(21)22)10(1712(20)18(7)2)853469(8)13(1415)16h3610H12H3(H1720)
MFCD00403597
O=C1NC(C(=C(N1C)C)(N+)(=O)(O))c1ccccc1C(F)(F)F
ZINC000000285489
ZINC000000285491

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Available files

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