Vitas-M small molecule compound

2,7-bis(azepan-1-ylsulfonyl)-4,5-dinitro-9H-fluoren-9-one

Catalog ID
STL061076
SMILES O=C1c2cc(cc(c2c2c1cc(cc2[N+](=O)[O-])S(=O)(=O)N1CCCCCC1)[N+](=O)[O-])S(=O)(=O)N1CCCCCC1

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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 C25H28N4O9S2 MW 592.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H28N4O9S2/c30-25-19-13-17(39(35,36)26-9-5-1-2-6-10-26)15-21(28(31)32)23(19)24-20(25)14-18(16-22(24)29(33)34)40(37,38)27-11-7-3-4-8-12-27/h13-16H,1-12H2
InChIKey
NHBLVOVKYNNUNP-UHFFFAOYSA-N
Synonyms
253309-06-7
253309067
27BIS(AZAPERHYDROEPINYLSULFONYL)45DINITROFLUOREN9ONE
27bis(azepan1ylsulfonyl)45dinitro9Hfluoren9one
27BIS(AZEPAN1YLSULFONYL)45DINITROFLUOREN9ONE
27BIS(AZEPANE1SULFONYL)45DINITROFLUOREN9ONE
27DI(AZEPAN1YLSULFONYL)45DINITRO9HFLUOREN9ONE
C1CCCN(CC1)S(=O)(=O)C2=CC(=C3C(=C2)C(=O)C4=CC(=CC(=C43)(N+)(=O)(O))S(=O)(=O)N5CCCCCC5)(N+)(=O)(O)
InChI=1SC25H28N4O9S2c3025191317(39(3536)26951261026)1521(28(31)32)23(19)2420(25)1418(1622(24)29(33)34)40(3738)271173481227h1316H112H2
MFCD00218328
O=C1c2cc(cc(c2c2c1cc(cc2(N+)(=O)(O))S(=O)(=O)N1CCCCCC1)(N+)(=O)(O))S(=O)(=O)N1CCCCCC1
ZINC000033353144
ZINC33353144

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Available files

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