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Vitas-M small molecule compound

hexa-tert-butyl 2,2',2''-(1,3,5-triazine-2,4,6-triyl)tris(nitropropanedioate)

Catalog ID
STK094491
SMILES [O-][N+](=O)C(c1nc(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-])(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C

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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 C36H54N6O18 MW 858.85 g/mol Purity >90% as per NMR
InChI
InChI=1S/C36H54N6O18/c1-28(2,3)55-22(43)34(40(49)50,23(44)56-29(4,5)6)19-37-20(35(41(51)52,24(45)57-30(7,8)9)25(46)58-31(10,11)12)39-21(38-19)36(42(53)54,26(47)59-32(13,14)15)27(48)60-33(16,17)18/h1-18H3
InChIKey
AXGJRLMOMZZVIH-UHFFFAOYSA-N
Synonyms

(135TRIAZINE246TRIYL)TRIS(NITROMALONICACIDDITERTBUTYL)ESTER
(O)(N+)(=O)C(c1nc(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))(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C
CC(C)(C)OC(=O)C(C1=NC(=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))(C(=O)OC(C)(C)C)(N+)(=O)(O)
DITERTBUTYL2(46BIS(13BIS((2METHYLPROPAN2YL)OXY)2NITRO13DIOXOPROPAN2YL)135TRIAZIN2YL)2NITROPROPANEDIOATE
HEXATERTBUTYL222(135TRIAZINE246TRIYL)TRIS(NITROPROPANEDIOATE)
InChI=1SC36H54N6O18c128(23)5522(43)34(40(49)5023(44)5629(45)6)193720(35(41(51)5224(45)5730(78)9)25(46)5831(1011)12)3921(3819)36(42(53)5426(47)5932(1314)15)27(48)6033(1617)18h118H3
MFCD03731001
STK094491
ZINC000195837431
ZINC195837431

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Available files

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