Vitas-M small molecule compound

tetra-tert-butyl 2,2'-(6-azido-1,3,5-triazine-2,4-diyl)bis(nitropropanedioate)

Catalog ID
STK072244
SMILES [N-]=[N+]=Nc1nc(nc(n1)C(C(=O)OC(C)(C)C)(C(=O)OC(C)(C)C)[N+](=O)[O-])C(C(=O)OC(C)(C)C)(C(=O)OC(C)(C)C)[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 C25H36N8O12 MW 640.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H36N8O12/c1-20(2,3)42-15(34)24(32(38)39,16(35)43-21(4,5)6)13-27-14(29-19(28-13)30-31-26)25(33(40)41,17(36)44-22(7,8)9)18(37)45-23(10,11)12/h1-12H3
InChIKey
AXHSUUYMAQUSNA-UHFFFAOYSA-N
Synonyms

(N)=(N+)=Nc1nc(nc(n1)C(C(=O)OC(C)(C)C)(C(=O)OC(C)(C)C)(N+)(=O)(O))C(C(=O)OC(C)(C)C)(C(=O)OC(C)(C)C)(N+)(=O)(O)
CC(C)(C)OC(=O)C(C1=NC(=NC(=N1)N=(N+)=(N))C(C(=O)OC(C)(C)C)(C(=O)OC(C)(C)C)(N+)(=O)(O))(C(=O)OC(C)(C)C)(N+)(=O)(O)
DITERTBUTYL2(4AZIDO6(13BIS((2METHYLPROPAN2YL)OXY)2NITRO13DIOXOPROPAN2YL)135TRIAZIN2YL)2NITROPROPANEDIOATE
InChI=1SC25H36N8O12c120(23)4215(34)24(32(38)3916(35)4321(45)6)132714(2919(2813)303126)25(33(40)4117(36)4422(78)9)18(37)4523(1011)12h112H3
MFCD03731009
STK072244
TETRATERTBUTYL22(6AZIDO135TRIAZINE24DIYL)BIS(NITROPROPANEDIOATE)
ZINC000150445279
ZINC150445279

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.