Vitas-M small molecule compound

(9E)-2,4,7-trinitro-9-[4-(pentyloxy)benzylidene]-9H-fluorene

Catalog ID
STK671667
SMILES CCCCCOc1ccc(cc1)/C=C/1\c2cc(ccc2c2c1cc(cc2[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 C25H21N3O7 MW 475.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H21N3O7/c1-2-3-4-11-35-19-8-5-16(6-9-19)12-21-22-13-17(26(29)30)7-10-20(22)25-23(21)14-18(27(31)32)15-24(25)28(33)34/h5-10,12-15H,2-4,11H2,1H3/b21-12+
InChIKey
NMEJUVHIMRDQCW-CIAFOILYSA-N
Synonyms

(9E)247TRINITRO9((4PENTOXYPHENYL)METHYLIDENE)FLUORENE
(9E)247trinitro9(4(pentyloxy)benzylidene)9Hfluorene
CCCCCOC1=CC=C(C=C1)C=C2C3=CC(=CC(=C3C4=C2C=C(C=C4)(N+)(=O)(O))(N+)(=O)(O))(N+)(=O)(O)
CCCCCOc1ccc(cc1)C=C1c2cc(ccc2c2c1cc(cc2(N+)(=O)(O))(N+)(=O)(O))(N+)(=O)(O)
InChI=1SC25H21N3O7c12341135198516(6919)1221221317(26(29)30)71020(22)2523(21)1418(27(31)32)1524(25)28(33)34h5101215H2411H21H3b2112+
MFCD00820550
ZINC000100046001
ZINC100046001

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Available files

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