Vitas-M small molecule compound
6-hydroxy-5-nitro-2-[(E)-2-(5-phenylfuran-2-yl)ethenyl]pyrimidin-4(3H)-one
Catalog ID
STL358733
SMILES [O-][N+](=O)c1c(O)nc([nH]c1=O)/C=C/c1ccc(o1)c1ccccc1
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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 C16H11N3O5 MW 325.28 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H11N3O5/c20-15-14(19(22)23)16(21)18-13(17-15)9-7-11-6-8-12(24-11)10-4-2-1-3-5-10/h1-9H,(H2,17,18,20,21)/b9-7+InChIKey
CRMXRNNQQQETCQ-VQHVLOKHSA-NSynonyms
(O)(N+)(=O)c1c(O)nc((nH)c1=O)C=Cc1ccc(o1)c1ccccc1
2((1E)2(5PHENYL(2FURYL))VINYL)6HYDROXY5NITRO3HYDROPYRIMIDIN4ONE
4HYDROXY5NITRO2((E)2(5PHENYLFURAN2YL)ETHENYL)1HPYRIMIDIN6ONE
6hydroxy5nitro2((E)2(5phenylfuran2yl)ethenyl)pyrimidin4(3H)one
6HYDROXY5NITRO2((E)2(5PHENYLFURAN2YL)VINYL)3HPYRIMIDIN4ONE
C1=CC=C(C=C1)C2=CC=C(O2)C=CC3=NC(=C(C(=O)N3)(N+)(=O)(O))O
InChI=1SC16H11N3O5c201514(19(22)23)16(21)1813(1715)97116812(2411)104213510h19H(H217182021)b97+
MFCD06010604
ZINC000009010351
ZINC9010351
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