Vitas-M small molecule compound

hexamethyl 2,2',2''-(1,3,5-triazine-2,4,6-triyl)tris(nitropropanedioate)

Catalog ID
STK060591
SMILES COC(=O)C(c1nc(nc(n1)C(C(=O)OC)(C(=O)OC)[N+](=O)[O-])C(C(=O)OC)(C(=O)OC)[N+](=O)[O-])(C(=O)OC)[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 C18H18N6O18 MW 606.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H18N6O18/c1-37-10(25)16(22(31)32,11(26)38-2)7-19-8(17(23(33)34,12(27)39-3)13(28)40-4)21-9(20-7)18(24(35)36,14(29)41-5)15(30)42-6/h1-6H3
InChIKey
ZMCPSWNTNRBBEN-UHFFFAOYSA-N
Synonyms

(135TRIAZINE246TRIYL)TRIS(NITROMALONICACIDDIMETHYL)ESTER
COC(=O)C(C1=NC(=NC(=N1)C(C(=O)OC)(C(=O)OC)(N+)(=O)(O))C(C(=O)OC)(C(=O)OC)(N+)(=O)(O))(C(=O)OC)(N+)(=O)(O)
COC(=O)C(c1nc(nc(n1)C(C(=O)OC)(C(=O)OC)(N+)(=O)(O))C(C(=O)OC)(C(=O)OC)(N+)(=O)(O))(C(=O)OC)(N+)(=O)(O)
DIMETHYL2(46BIS(13DIMETHOXY2NITRO13DIOXOPROPAN2YL)135TRIAZIN2YL)2NITROPROPANEDIOATE
HEXAMETHYL222(135TRIAZINE246TRIYL)TRIS(NITROPROPANEDIOATE)
InChI=1SC18H18N6O18c13710(25)16(22(31)3211(26)382)7198(17(23(33)3412(27)393)13(28)404)219(207)18(24(35)3614(29)415)15(30)426h16H3
MFCD00312233
STK060591
ZINC000068572848
ZINC68572848

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Available files

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