Vitas-M small molecule compound
methyl (9E)-9-(2-hydroxybenzylidene)-2,5,7-trinitro-9H-fluorene-4-carboxylate
Catalog ID
STL353200
SMILES COC(=O)c1cc(cc2c1c1c(cc(cc1/C/2=C/c1ccccc1O)[N+](=O)[O-])[N+](=O)[O-])[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 C22H13N3O9 MW 463.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H13N3O9/c1-34-22(27)17-9-12(23(28)29)7-15-14(6-11-4-2-3-5-19(11)26)16-8-13(24(30)31)10-18(25(32)33)21(16)20(15)17/h2-10,26H,1H3/b14-6+InChIKey
CGYAOMSBLPPIPR-MKMNVTDBSA-NSynonyms
324052-40-6(E)methyl9(2hydroxybenzylidene)257trinitro9Hfluorene4carboxylate
324052406
COC(=O)C1=C2C(=CC(=C1)(N+)(=O)(O))C(=CC3=CC=CC=C3O)C4=CC(=CC(=C42)(N+)(=O)(O))(N+)(=O)(O)
COC(=O)c1cc(cc2c1c1c(cc(cc1C2=Cc1ccccc1O)(N+)(=O)(O))(N+)(=O)(O))(N+)(=O)(O)
InChI=1SC22H13N3O9c13422(27)17912(23(28)29)71514(611423519(11)26)16813(24(30)31)1018(25(32)33)21(16)20(15)17h21026H1H3b146+
METHYL(9E)9((2HYDROXYPHENYL)METHYLIDENE)257TRINITROFLUORENE4CARBOXYLATE
methyl(9E)9(2hydroxybenzylidene)257trinitro9Hfluorene4carboxylate
MFCD01166556
ZINC000100556867
ZINC100556867
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