Vitas-M small molecule compound

1-(6,6-dimethyl-5,7-dinitro-1,3-diazatricyclo[3.3.1.1~3,7~]dec-2-yl)butane-1,2,3,4-tetrol

Catalog ID
STK531317
SMILES OCC(C(C(C1N2CC3(CN1CC(C2)(C3(C)C)[N+](=O)[O-])[N+](=O)[O-])O)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 C14H24N4O8 MW 376.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H24N4O8/c1-12(2)13(17(23)24)4-15-6-14(12,18(25)26)7-16(5-13)11(15)10(22)9(21)8(20)3-19/h8-11,19-22H,3-7H2,1-2H3
InChIKey
VKKHDSYXTBMPII-UHFFFAOYSA-N
Synonyms

1((1R3S5s7s)66dimethyl57dinitro13diazaadamantan2yl)butane1234tetraol
1(66dimethyl57dinitro13diazatricyclo(3311~37~)dec2yl)butane1234tetrol
CC1(C2(CN3CC1(CN(C2)C3C(C(C(CO)O)O)O)(N+)(=O)(O))(N+)(=O)(O))C
InChI=1SC14H24N4O8c112(2)13(17(23)24)415614(1218(25)26)716(513)11(15)10(22)9(21)8(20)319h8111922H37H212H3
MFCD02992530
OCC(C(C(C1N2CC3(CN1CC(C2)(C3(C)C)(N+)(=O)(O))(N+)(=O)(O))O)O)O
ZINC000019330177
ZINC000019331684

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Available files

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