Vitas-M small molecule compound

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

Catalog ID
STK039730
SMILES NNc1nc(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 C25H39N7O12 MW 629.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H39N7O12/c1-20(2,3)41-15(33)24(31(37)38,16(34)42-21(4,5)6)13-27-14(29-19(28-13)30-26)25(32(39)40,17(35)43-22(7,8)9)18(36)44-23(10,11)12/h26H2,1-12H3,(H,27,28,29,30)
InChIKey
IHLWMOVLLFRHCW-UHFFFAOYSA-N
Synonyms

CC(C)(C)OC(=O)C(C1=NC(=NC(=N1)NN)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(4(13BIS((2METHYLPROPAN2YL)OXY)2NITRO13DIOXOPROPAN2YL)6HYDRAZINYL135TRIAZIN2YL)2NITROPROPANEDIOATE
InChI=1SC25H39N7O12c120(23)4115(33)24(31(37)3816(34)4221(45)6)132714(2919(2813)3026)25(32(39)4017(35)4322(78)9)18(36)4423(1011)12h26H2112H3(H27282930)
MFCD00633045
NNc1nc(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)
STK039730
TETRATERTBUTYL22(6HYDRAZINYL135TRIAZINE24DIYL)BIS(NITROPROPANEDIOATE)
ZINC000100075432
ZINC100075432

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Available files

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