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Vitas-M small molecule compound

9-(hydroxyimino)-N,N,N',N'-tetrakis(3-methylbutyl)-4,5-dinitro-9H-fluorene-2,7-disulfonamide

Catalog ID
STK726750
SMILES O/N=C/1\c2cc(cc(c2c2c1cc(cc2[N+](=O)[O-])S(=O)(=O)N(CCC(C)C)CCC(C)C)[N+](=O)[O-])S(=O)(=O)N(CCC(C)C)CCC(C)C

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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 C33H49N5O9S2 MW 723.91 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H49N5O9S2/c1-21(2)9-13-35(14-10-22(3)4)48(44,45)25-17-27-31(29(19-25)37(40)41)32-28(33(27)34-39)18-26(20-30(32)38(42)43)49(46,47)36(15-11-23(5)6)16-12-24(7)8/h17-24,39H,9-16H2,1-8H3
InChIKey
NXWNSNUKCYBKLZ-UHFFFAOYSA-N
Synonyms
321579-97-9
321579979
9(hydroxyimino)N2N2N7N7tetraisopentyl45dinitro9Hfluorene27disulfonamide
9(hydroxyimino)NNNNtetrakis(3methylbutyl)45dinitro9Hfluorene27disulfonamide
9HYDROXYIMINO2N2N7N7NTETRAKIS(3METHYLBUTYL)45DINITROFLUORENE27DISULFONAMIDE
BIS(3METHYLBUTYL)((7((BIS(3METHYLBUTYL)AMINO)SULFONYL)9(HYDROXYIMINO)45DINITROFLUOREN2YL)SULFONYL)AMINE
CC(C)CCN(CCC(C)C)S(=O)(=O)C1=CC(=C2C(=C1)C(=NO)C3=CC(=CC(=C32)(N+)(=O)(O))S(=O)(=O)N(CCC(C)C)CCC(C)C)(N+)(=O)(O)
InChI=1SC33H49N5O9S2c121(2)91335(141022(3)4)48(4445)25172731(29(1925)37(40)41)3228(33(27)3439)1826(2030(32)38(42)43)49(4647)36(151123(5)6)161224(7)8h172439H916H218H3
MFCD00519193
ON=C1c2cc(cc(c2c2c1cc(cc2(N+)(=O)(O))S(=O)(=O)N(CCC(C)C)CCC(C)C)(N+)(=O)(O))S(=O)(=O)N(CCC(C)C)CCC(C)C
ZINC000033353138
ZINC33353138

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Available files

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