Vitas-M small molecule compound

N,N',N''-tris(2,2,2-trinitroethyl)-1,3,5-triazine-2,4,6-triamine

Catalog ID
STK677141
SMILES [O-][N+](=O)C([N+](=O)[O-])([N+](=O)[O-])CNc1nc(NCC([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-])nc(n1)NCC([N+](=O)[O-])([N+](=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 C9H9N15O18 MW 615.26 g/mol Purity >90% as per NMR
InChI
InChI=1S/C9H9N15O18/c25-16(26)7(17(27)28,18(29)30)1-10-4-13-5(11-2-8(19(31)32,20(33)34)21(35)36)15-6(14-4)12-3-9(22(37)38,23(39)40)24(41)42/h1-3H2,(H3,10,11,12,13,14,15)
InChIKey
FRLAKDVBKJHGHO-UHFFFAOYSA-N
Synonyms
384856-74-0
(46BIS((222TRINITROETHYL)AMINO)(135TRIAZIN2YL))(222TRINITROETHYL)AMINE
(O)(N+)(=O)C((N+)(=O)(O))((N+)(=O)(O))CNc1nc(NCC((N+)(=O)(O))((N+)(=O)(O))(N+)(=O)(O))nc(n1)NCC((N+)(=O)(O))((N+)(=O)(O))(N+)(=O)(O)
135TRIAZINE246TRIAMINENNNTRIS(222TRINITROETHYL)
2N4N6NTRIS(222TRINITROETHYL)135TRIAZINE246TRIAMINE
384856740
C(C((N+)(=O)(O))((N+)(=O)(O))(N+)(=O)(O))NC1=NC(=NC(=N1)NCC((N+)(=O)(O))((N+)(=O)(O))(N+)(=O)(O))NCC((N+)(=O)(O))((N+)(=O)(O))(N+)(=O)(O)
InChI=1SC9H9N15O18c2516(26)7(17(27)2818(29)30)1104135(1128(19(31)3220(33)34)21(35)36)156(144)1239(22(37)3823(39)40)24(41)42h13H2(H3101112131415)
MFCD02815414
N2N4N6TRIS(222TRINITROETHYL)135TRIAZINE246TRIAMINE
NNNtris(222trinitroethyl)135triazine246triamine
ZINC000033354493
ZINC33354493

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Available files

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