Vitas-M small molecule compound

2,4,5,7-tetranitro-9-[4-(octyloxy)benzylidene]-9H-fluorene

Catalog ID
STK387442
SMILES CCCCCCCCOc1ccc(cc1)/C=C/1\c2cc(cc(c2c2c1cc(cc2[N+](=O)[O-])[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 C28H26N4O9 MW 562.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H26N4O9/c1-2-3-4-5-6-7-12-41-21-10-8-18(9-11-21)13-22-23-14-19(29(33)34)16-25(31(37)38)27(23)28-24(22)15-20(30(35)36)17-26(28)32(39)40/h8-11,13-17H,2-7,12H2,1H3
InChIKey
HHQLWHKWERDALQ-UHFFFAOYSA-N
Synonyms
318272-81-0
2457tetranitro9((4octoxyphenyl)methylidene)fluorene
2457tetranitro9(4(octyloxy)benzylidene)9Hfluorene
318272810
CCCCCCCCOC1=CC=C(C=C1)C=C2C3=CC(=CC(=C3C4=C(C=C(C=C24)(N+)(=O)(O))(N+)(=O)(O))(N+)(=O)(O))(N+)(=O)(O)
CCCCCCCCOc1ccc(cc1)C=C1c2cc(cc(c2c2c1cc(cc2(N+)(=O)(O))(N+)(=O)(O))(N+)(=O)(O))(N+)(=O)(O)
InChI=1SC28H26N4O9c123456712412110818(91121)1322231419(29(33)34)1625(31(37)38)27(23)2824(22)1520(30(35)36)1726(28)32(39)40h8111317H2712H21H3
MFCD00230243
ZINC000033354470
ZINC33354470

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Available files

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