Vitas-M small molecule compound
4-(6,6-dimethyl-5,7-dinitro-1,3-diazatricyclo[3.3.1.1~3,7~]dec-2-yl)benzene-1,2-diol
Catalog ID
STK722549
SMILES [O-][N+](=O)C12CN3CC(C2(C)C)(CN(C1)C3c1ccc(c(c1)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 C16H20N4O6 MW 364.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H20N4O6/c1-14(2)15(19(23)24)6-17-8-16(14,20(25)26)9-18(7-15)13(17)10-3-4-11(21)12(22)5-10/h3-5,13,21-22H,6-9H2,1-2H3InChIKey
XKYPKXHJVACFCA-UHFFFAOYSA-NSynonyms
(O)(N+)(=O)C12CN3CC(C2(C)C)(CN(C1)C3c1ccc(c(c1)O)O)(N+)(=O)(O)
4((1R3S5s7s)66dimethyl57dinitro13diazaadamantan2yl)benzene12diol
4(66dimethyl57dinitro13diazatricyclo(3311~37~)dec2yl)benzene12diol
CC1(C2(CN3CC1(CN(C2)C3C4=CC(=C(C=C4)O)O)(N+)(=O)(O))(N+)(=O)(O))C
InChI=1SC16H20N4O6c114(2)15(19(23)24)617816(1420(25)26)918(715)13(17)103411(21)12(22)510h35132122H69H212H3
MFCD02997632
ZINC000019325852
ZINC19325852
Check stock
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