Vitas-M small molecule compound
6-hydroxy-2-[(Z)-2-(naphthalen-1-yl)ethenyl]-5-nitropyrimidin-4(3H)-one
Catalog ID
STL358759
SMILES [O-][N+](=O)c1c(O)nc([nH]c1=O)/C=C\c1cccc2c1cccc2
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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 C16H11N3O4 MW 309.28 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H11N3O4/c20-15-14(19(22)23)16(21)18-13(17-15)9-8-11-6-3-5-10-4-1-2-7-12(10)11/h1-9H,(H2,17,18,20,21)/b9-8-InChIKey
JPSASVOXDJPDAT-HJWRWDBZSA-NSynonyms
(O)(N+)(=O)c1c(O)nc((nH)c1=O)C=Cc1cccc2c1cccc2
4hydroxy2((Z)2naphthalen1ylethenyl)5nitro1Hpyrimidin6one
6hydroxy2((Z)2(naphthalen1yl)ethenyl)5nitropyrimidin4(3H)one
C1=CC=C2C(=C1)C=CC=C2C=CC3=NC(=C(C(=O)N3)(N+)(=O)(O))O
InChI=1SC16H11N3O4c201514(19(22)23)16(21)1813(1715)981163510412712(10)11h19H(H217182021)b98
MFCD27966470
ZINC000016526166
ZINC16526166
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