Vitas-M small molecule compound
2-{(E)-2-[3-ethoxy-4-(propan-2-yloxy)phenyl]ethenyl}-6-hydroxy-5-nitropyrimidin-4(3H)-one
Catalog ID
STL358738
SMILES CCOc1cc(/C=C/c2nc(O)c(c(=O)[nH]2)[N+](=O)[O-])ccc1OC(C)C
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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 C17H19N3O6 MW 361.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H19N3O6/c1-4-25-13-9-11(5-7-12(13)26-10(2)3)6-8-14-18-16(21)15(20(23)24)17(22)19-14/h5-10H,4H2,1-3H3,(H2,18,19,21,22)/b8-6+InChIKey
IQDHVHBUPVGLOE-SOFGYWHQSA-NSynonyms
2((E)2(3ethoxy4(propan2yloxy)phenyl)ethenyl)6hydroxy5nitropyrimidin4(3H)one
2((E)2(3ETHOXY4PROPAN2YLOXYPHENYL)ETHENYL)4HYDROXY5NITRO1HPYRIMIDIN6ONE
CCOC1=C(C=CC(=C1)C=CC2=NC(=C(C(=O)N2)(N+)(=O)(O))O)OC(C)C
CCOc1cc(C=Cc2nc(O)c(c(=O)(nH)2)(N+)(=O)(O))ccc1OC(C)C
InChI=1SC17H19N3O6c142513911(5712(13)2610(2)3)68141816(21)15(20(23)24)17(22)1914h510H4H213H3(H218192122)b86+
MFCD07037500
ZINC000009234993
ZINC9234993
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