Vitas-M small molecule compound
1-[1-hydroxy-2-(4-methoxy-3-nitrophenyl)-4-methyl-1H-imidazol-5-yl]ethanone
Catalog ID
STK770139
SMILES COc1ccc(cc1[N+](=O)[O-])c1nc(c(n1O)C(=O)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 C13H13N3O5 MW 291.26 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H13N3O5/c1-7-12(8(2)17)15(18)13(14-7)9-4-5-11(21-3)10(6-9)16(19)20/h4-6,18H,1-3H3InChIKey
OEZZLLUXYZWHBQ-UHFFFAOYSA-NSynonyms
1(1hydroxy2(4methoxy3nitrophenyl)4methyl1Himidazol5yl)ethanone
1(3HYDROXY2(4METHOXY3NITROPHENYL)5METHYLIMIDAZOL4YL)ETHANONE
CC1=C(N(C(=N1)C2=CC(=C(C=C2)OC)(N+)(=O)(O))O)C(=O)C
COc1ccc(cc1(N+)(=O)(O))c1nc(c(n1O)C(=O)C)C
InChI=1SC13H13N3O5c1712(8(2)17)15(18)13(147)94511(213)10(69)16(19)20h4618H13H3
MFCD03764168
ZINC000000095038
ZINC95038
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