Vitas-M small molecule compound

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

Catalog ID
STK671668
SMILES CCCCCCOc1ccc(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 C26H23N3O7 MW 489.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H23N3O7/c1-2-3-4-5-12-36-20-9-6-17(7-10-20)13-22-23-14-18(27(30)31)8-11-21(23)26-24(22)15-19(28(32)33)16-25(26)29(34)35/h6-11,13-16H,2-5,12H2,1H3/b22-13+
InChIKey
AEVVCUHCBINIBD-LPYMAVHISA-N
Synonyms

(9E)9((4HEXOXYPHENYL)METHYLIDENE)247TRINITROFLUORENE
(9E)9(4(HEXYLOXY)BENZYLIDENE)247TRINITRO9HFLUORENE
CCCCCCOC1=CC=C(C=C1)C=C2C3=CC(=CC(=C3C4=C2C=C(C=C4)(N+)(=O)(O))(N+)(=O)(O))(N+)(=O)(O)
CCCCCCOc1ccc(cc1)C=C1c2cc(ccc2c2c1cc(cc2(N+)(=O)(O))(N+)(=O)(O))(N+)(=O)(O)
InChI=1SC26H23N3O7c123451236209617(71020)1322231418(27(30)31)81121(23)2624(22)1519(28(32)33)1625(26)29(34)35h6111316H2512H21H3b2213+
MFCD00820551
ZINC000100046003
ZINC100046003

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Available files

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