Vitas-M small molecule compound
2-{(Z)-2-[4-(diethylamino)phenyl]ethenyl}-6-hydroxy-5-nitropyrimidin-4(3H)-one
Catalog ID
STK255863
SMILES CCN(c1ccc(cc1)/C=C\c1nc(O)c(c(=O)[nH]1)[N+](=O)[O-])CC
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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 C16H18N4O4 MW 330.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H18N4O4/c1-3-19(4-2)12-8-5-11(6-9-12)7-10-13-17-15(21)14(20(23)24)16(22)18-13/h5-10H,3-4H2,1-2H3,(H2,17,18,21,22)/b10-7-InChIKey
MYVHXMRTZCFSIZ-YFHOEESVSA-NSynonyms
2((Z)2(4(diethylamino)phenyl)ethenyl)4hydroxy5nitro1Hpyrimidin6one
2((Z)2(4(diethylamino)phenyl)ethenyl)6hydroxy5nitropyrimidin4(3H)one
CCN(c1ccc(cc1)C=Cc1nc(O)c(c(=O)(nH)1)(N+)(=O)(O))CC
CCN(CC)C1=CC=C(C=C1)C=CC2=NC(=C(C(=O)N2)(N+)(=O)(O))O
InChI=1SC16H18N4O4c1319(42)128511(6912)710131715(21)14(20(23)24)16(22)1813h510H34H212H3(H217182122)b107
MFCD08680771
ZINC000013847648
ZINC13847648
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