Vitas-M small molecule compound

butyl (9E)-9-(furan-2-ylmethylidene)-2,5,7-trinitro-9H-fluorene-4-carboxylate

Catalog ID
STK726866
SMILES CCCCOC(=O)c1cc(cc2c1c1c(/C/2=C/c2ccco2)cc(cc1[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 C23H17N3O9 MW 479.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H17N3O9/c1-2-3-6-35-23(27)19-10-13(24(28)29)8-17-16(12-15-5-4-7-34-15)18-9-14(25(30)31)11-20(26(32)33)22(18)21(17)19/h4-5,7-12H,2-3,6H2,1H3/b16-12+
InChIKey
GONSRVLFODLJHV-FOWTUZBSSA-N
Synonyms
324773-88-8
(E)butyl9(furan2ylmethylene)257trinitro9Hfluorene4carboxylate
324773888
9FURAN2YLMETHYLENE257TRINITRO9HFLUORENE4CARBOXYLICACIDBUTYLESTER
butyl(9E)9(furan2ylmethylidene)257trinitro9Hfluorene4carboxylate
BUTYL(9E)9(FURAN2YLMETHYLIDENE)257TRINITROFLUORENE4CARBOXYLATE
BUTYL9(2FURYLMETHYLENE)257TRISNITRO9HFLUORENE4CARBOXYLATE
CCCCOC(=O)C1=C2C(=CC(=C1)(N+)(=O)(O))C(=CC3=CC=CO3)C4=CC(=CC(=C42)(N+)(=O)(O))(N+)(=O)(O)
CCCCOC(=O)c1cc(cc2c1c1c(C2=Cc2ccco2)cc(cc1(N+)(=O)(O))(N+)(=O)(O))(N+)(=O)(O)
InChI=1SC23H17N3O9c12363523(27)191013(24(28)29)81716(12155473415)18914(25(30)31)1120(26(32)33)22(18)21(17)19h45712H236H21H3b1612+
MFCD01816354
ZINC000008440905
ZINC08440905
ZINC8440905

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.