Vitas-M small molecule compound
4-hydroxy-6-(3-nitrophenyl)-5-(thiophen-2-ylcarbonyl)-4-(trifluoromethyl)tetrahydropyrimidin-2(1H)-one
Catalog ID
STK983157
SMILES O=C1NC(c2cccc(c2)[N+](=O)[O-])C(C(N1)(O)C(F)(F)F)C(=O)c1cccs1
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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 C16H12F3N3O5S MW 415.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H12F3N3O5S/c17-16(18,19)15(25)11(13(23)10-5-2-6-28-10)12(20-14(24)21-15)8-3-1-4-9(7-8)22(26)27/h1-7,11-12,25H,(H2,20,21,24)InChIKey
NQSQSODDYSCIEY-UHFFFAOYSA-NSynonyms
4hydroxy6(3nitrophenyl)5(thiophen2ylcarbonyl)4(trifluoromethyl)tetrahydropyrimidin2(1H)one
4HYDROXY6(3NITROPHENYL)5(THIOPHENE2CARBONYL)4(TRIFLUOROMETHYL)13DIAZINAN2ONE
C1=CC(=CC(=C1)(N+)(=O)(O))C2C(C(NC(=O)N2)(C(F)(F)F)O)C(=O)C3=CC=CS3
InChI=1SC16H12F3N3O5Sc1716(1819)15(25)11(13(23)105262810)12(2014(24)2115)83149(78)22(26)27h17111225H(H2202124)
MFCD02249974
O=C1NC(c2cccc(c2)(N+)(=O)(O))C(C(N1)(O)C(F)(F)F)C(=O)c1cccs1
ZINC000001164706
ZINC000100736555
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