Vitas-M small molecule compound
4-hydroxy-5-[(4-methylphenyl)carbonyl]-6-(3-nitrophenyl)-4-(trifluoromethyl)tetrahydropyrimidin-2(1H)-one
Catalog ID
STK876953
SMILES O=C1NC(c2cccc(c2)[N+](=O)[O-])C(C(N1)(O)C(F)(F)F)C(=O)c1ccc(cc1)C
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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 C19H16F3N3O5 MW 423.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H16F3N3O5/c1-10-5-7-11(8-6-10)16(26)14-15(12-3-2-4-13(9-12)25(29)30)23-17(27)24-18(14,28)19(20,21)22/h2-9,14-15,28H,1H3,(H2,23,24,27)InChIKey
TUHGGHNGNPMCAZ-UHFFFAOYSA-NSynonyms
474260-47-4474260474
4hydroxy5((4methylphenyl)carbonyl)6(3nitrophenyl)4(trifluoromethyl)tetrahydropyrimidin2(1H)one
4HYDROXY5(4METHYLBENZOYL)6(3NITROPHENYL)4(TRIFLUOROMETHYL)13DIAZINAN2ONE
4hydroxy5(4methylbenzoyl)6(3nitrophenyl)4(trifluoromethyl)tetrahydropyrimidin2(1H)one
CC1=CC=C(C=C1)C(=O)C2C(NC(=O)NC2(C(F)(F)F)O)C3=CC(=CC=C3)(N+)(=O)(O)
InChI=1SC19H16F3N3O5c1105711(8610)16(26)1415(1232413(912)25(29)30)2317(27)2418(1428)19(2021)22h29141528H1H3(H2232427)
MFCD03293529
O=C1NC(c2cccc(c2)(N+)(=O)(O))C(C(N1)(O)C(F)(F)F)C(=O)c1ccc(cc1)C
ZINC000008915412
ZINC000013582235
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