Vitas-M small molecule compound

N,N'-bis(2-hydroxyethyl)-N,N'-dimethyl-4,5-dinitro-9-oxo-9H-fluorene-2,7-disulfonamide

Catalog ID
STK533262
SMILES OCCN(S(=O)(=O)c1cc2C(=O)c3c(c2c(c1)[N+](=O)[O-])c(cc(c3)S(=O)(=O)N(CCO)C)[N+](=O)[O-])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 C19H20N4O11S2 MW 544.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H20N4O11S2/c1-20(3-5-24)35(31,32)11-7-13-17(15(9-11)22(27)28)18-14(19(13)26)8-12(10-16(18)23(29)30)36(33,34)21(2)4-6-25/h7-10,24-25H,3-6H2,1-2H3
InChIKey
VZJDGIXAUOJRRJ-UHFFFAOYSA-N
Synonyms

27BIS(((2HYDROXYETHYL)METHYLAMINO)SULFONYL)45DINITROFLUOREN9ONE
2N7NBIS(2HYDROXYETHYL)2N7NDIMETHYL45DINITRO9OXOFLUORENE27DISULFONAMIDE
CN(CCO)S(=O)(=O)C1=CC(=C2C(=C1)C(=O)C3=CC(=CC(=C32)(N+)(=O)(O))S(=O)(=O)N(C)CCO)(N+)(=O)(O)
InChI=1SC19H20N4O11S2c120(3524)35(3132)1171317(15(911)22(27)28)1814(19(13)26)812(1016(18)23(29)30)36(3334)21(2)4625h7102425H36H212H3
MFCD02046852
N2N7bis(2hydroxyethyl)N2N7dimethyl45dinitro9oxo9Hfluorene27disulfonamide
NNbis(2hydroxyethyl)NNdimethyl45dinitro9oxo9Hfluorene27disulfonamide
OCCN(S(=O)(=O)c1cc2C(=O)c3c(c2c(c1)(N+)(=O)(O))c(cc(c3)S(=O)(=O)N(CCO)C)(N+)(=O)(O))C
ZINC000006878751
ZINC6878751

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Available files

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