Vitas-M small molecule compound

2-[(E)-2-{4-[(3-fluorobenzyl)oxy]phenyl}ethenyl]-6-hydroxy-5-nitropyrimidin-4(3H)-one

Catalog ID
STL360162
SMILES Fc1cccc(c1)COc1ccc(cc1)/C=C/c1nc(O)c(c(=O)[nH]1)[N+](=O)[O-]

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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 C19H14FN3O5 MW 383.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H14FN3O5/c20-14-3-1-2-13(10-14)11-28-15-7-4-12(5-8-15)6-9-16-21-18(24)17(23(26)27)19(25)22-16/h1-10H,11H2,(H2,21,22,24,25)/b9-6+
InChIKey
NLCAEYFWKULTRB-RMKNXTFCSA-N
Synonyms

2((E)2(4((3fluorobenzyl)oxy)phenyl)ethenyl)6hydroxy5nitropyrimidin4(3H)one
2((E)2(4((3FLUOROPHENYL)METHOXY)PHENYL)ETHENYL)4HYDROXY5NITRO1HPYRIMIDIN6ONE
C1=CC(=CC(=C1)F)COC2=CC=C(C=C2)C=CC3=NC(=C(C(=O)N3)(N+)(=O)(O))O
Fc1cccc(c1)COc1ccc(cc1)C=Cc1nc(O)c(c(=O)(nH)1)(N+)(=O)(O)
InChI=1SC19H14FN3O5c201431213(1014)1128157412(5815)69162118(24)17(23(26)27)19(25)2216h110H11H2(H221222425)b96+
MFCD06777128
ZINC000009235133
ZINC9235133

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Available files

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