Vitas-M small molecule compound
6-hydroxy-5-nitro-2-[(E)-2-{5-[2-(trifluoromethyl)phenyl]furan-2-yl}ethenyl]pyrimidin-4(3H)-one
Catalog ID
STL358778
SMILES [O-][N+](=O)c1c(O)nc([nH]c1=O)/C=C/c1ccc(o1)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 C17H10F3N3O5 MW 393.28 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H10F3N3O5/c18-17(19,20)11-4-2-1-3-10(11)12-7-5-9(28-12)6-8-13-21-15(24)14(23(26)27)16(25)22-13/h1-8H,(H2,21,22,24,25)/b8-6+InChIKey
RIQXPCSAADVWRZ-SOFGYWHQSA-NSynonyms
(O)(N+)(=O)c1c(O)nc((nH)c1=O)C=Cc1ccc(o1)c1ccccc1C(F)(F)F
4HYDROXY5NITRO2((E)2(5(2(TRIFLUOROMETHYL)PHENYL)FURAN2YL)ETHENYL)1HPYRIMIDIN6ONE
6hydroxy5nitro2((E)2(5(2(trifluoromethyl)phenyl)furan2yl)ethenyl)pyrimidin4(3H)one
C1=CC=C(C(=C1)C2=CC=C(O2)C=CC3=NC(=C(C(=O)N3)(N+)(=O)(O))O)C(F)(F)F
InChI=1SC17H10F3N3O5c1817(1920)11421310(11)12759(2812)68132115(24)14(23(26)27)16(25)2213h18H(H221222425)b86+
MFCD06166961
ZINC000009234945
ZINC9234945
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