Vitas-M small molecule compound
(2E)-3-(3,4-dimethoxyphenyl)-1-(2-hydroxy-5-nitrophenyl)prop-2-en-1-one
Catalog ID
STK530390
SMILES COc1cc(/C=C/C(=O)c2cc(ccc2O)[N+](=O)[O-])ccc1OC
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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 C17H15NO6 MW 329.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H15NO6/c1-23-16-8-4-11(9-17(16)24-2)3-6-14(19)13-10-12(18(21)22)5-7-15(13)20/h3-10,20H,1-2H3/b6-3+InChIKey
GMELYVVJGGTRIY-ZZXKWVIFSA-NSynonyms
(2E)3(34dimethoxyphenyl)1(2hydroxy5nitrophenyl)prop2en1one
(E)3(34DIMETHOXYPHENYL)1(2HYDROXY5NITROPHENYL)PROP2EN1ONE
COC1=C(C=C(C=C1)C=CC(=O)C2=C(C=CC(=C2)(N+)(=O)(O))O)OC
COc1cc(C=CC(=O)c2cc(ccc2O)(N+)(=O)(O))ccc1OC
InChI=1SC17H15NO6c123168411(917(16)242)3614(19)131012(18(21)22)5715(13)20h31020H12H3b63+
MFCD02236428
ZINC000049590022
ZINC49590022
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