Vitas-M small molecule compound
2-{(Z)-2-[3-ethoxy-4-(prop-2-en-1-yloxy)phenyl]ethenyl}-6-hydroxy-5-nitropyrimidin-4(3H)-one
Catalog ID
STL358699
SMILES C=CCOc1ccc(cc1OCC)/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 C17H17N3O6 MW 359.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H17N3O6/c1-3-9-26-12-7-5-11(10-13(12)25-4-2)6-8-14-18-16(21)15(20(23)24)17(22)19-14/h3,5-8,10H,1,4,9H2,2H3,(H2,18,19,21,22)/b8-6-InChIKey
HJFDKIOPNZUXGY-VURMDHGXSA-NSynonyms
2((1Z)2(3ETHOXY4PROP2ENYLOXYPHENYL)VINYL)6HYDROXY5NITRO3HYDROPYRIMIDIN4ONE
2((Z)2(3ethoxy4(prop2en1yloxy)phenyl)ethenyl)6hydroxy5nitropyrimidin4(3H)one
2((Z)2(3ETHOXY4PROP2ENOXYPHENYL)ETHENYL)4HYDROXY5NITRO1HPYRIMIDIN6ONE
2((Z)2(4ALLYLOXY3ETHOXYPHENYL)VINYL)6HYDROXY5NITRO3HPYRIMIDIN4ONE
C=CCOc1ccc(cc1OCC)C=Cc1nc(O)c(c(=O)(nH)1)(N+)(=O)(O)
CCOC1=C(C=CC(=C1)C=CC2=NC(=C(C(=O)N2)(N+)(=O)(O))O)OCC=C
InChI=1SC17H17N3O6c13926127511(1013(12)2542)68141816(21)15(20(23)24)17(22)1914h35810H149H22H3(H218192122)b86
MFCD06010534
ZINC000009010303
ZINC09010303
ZINC9010303
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