Vitas-M small molecule compound
2-[(Z)-2-(3,4-diethoxyphenyl)ethenyl]-6-hydroxy-5-nitropyrimidin-4(3H)-one
Catalog ID
STL358757
SMILES CCOc1cc(/C=C\c2nc(O)c(c(=O)[nH]2)[N+](=O)[O-])ccc1OCC
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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 C16H17N3O6 MW 347.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H17N3O6/c1-3-24-11-7-5-10(9-12(11)25-4-2)6-8-13-17-15(20)14(19(22)23)16(21)18-13/h5-9H,3-4H2,1-2H3,(H2,17,18,20,21)/b8-6-InChIKey
WSBKSAQVULWSAN-VURMDHGXSA-NSynonyms
2((1Z)2(34DIETHOXYPHENYL)VINYL)6HYDROXY5NITRO3HYDROPYRIMIDIN4ONE
2((Z)2(34DIETHOXYPHENYL)ETHENYL)4HYDROXY5NITRO1HPYRIMIDIN6ONE
2((Z)2(34diethoxyphenyl)ethenyl)6hydroxy5nitropyrimidin4(3H)one
2((Z)2(34DIETHOXYPHENYL)VINYL)6HYDROXY5NITRO3HPYRIMIDIN4ONE
CCOC1=C(C=C(C=C1)C=CC2=NC(=C(C(=O)N2)(N+)(=O)(O))O)OCC
CCOc1cc(C=Cc2nc(O)c(c(=O)(nH)2)(N+)(=O)(O))ccc1OCC
InChI=1SC16H17N3O6c1324117510(912(11)2542)68131715(20)14(19(22)23)16(21)1813h59H34H212H3(H217182021)b86
MFCD06010616
ZINC000009010354
ZINC09010354
ZINC9010354
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