Vitas-M small molecule compound
6-hydroxy-5-nitro-2-{(Z)-2-[3-(2-phenoxyethoxy)phenyl]ethenyl}pyrimidin-4(3H)-one
Catalog ID
STL358748
SMILES [O-][N+](=O)c1c(O)nc([nH]c1=O)/C=C\c1cccc(c1)OCCOc1ccccc1
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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 C20H17N3O6 MW 395.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H17N3O6/c24-19-18(23(26)27)20(25)22-17(21-19)10-9-14-5-4-8-16(13-14)29-12-11-28-15-6-2-1-3-7-15/h1-10,13H,11-12H2,(H2,21,22,24,25)/b10-9-InChIKey
AYNFGLBDLZVXDF-KTKRTIGZSA-NSynonyms
(O)(N+)(=O)c1c(O)nc((nH)c1=O)C=Cc1cccc(c1)OCCOc1ccccc1
4hydroxy5nitro2((Z)2(3(2phenoxyethoxy)phenyl)ethenyl)1Hpyrimidin6one
6hydroxy5nitro2((Z)2(3(2phenoxyethoxy)phenyl)ethenyl)pyrimidin4(3H)one
C1=CC=C(C=C1)OCCOC2=CC=CC(=C2)C=CC3=NC(=C(C(=O)N3)(N+)(=O)(O))O
InChI=1SC20H17N3O6c241918(23(26)27)20(25)2217(2119)1091454816(1314)29121128156213715h11013H1112H2(H221222425)b109
MFCD28033629
ZINC000033553492
ZINC33553492
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