Vitas-M small molecule compound
tetra-tert-butyl 2,2'-[6-(dimethylamino)-1,3,5-triazine-2,4-diyl]bis(nitropropanedioate)
Catalog ID
STK015593
SMILES [O-][N+](=O)C(c1nc(nc(n1)C(C(=O)OC(C)(C)C)(C(=O)OC(C)(C)C)[N+](=O)[O-])N(C)C)(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 C27H42N6O12 MW 642.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H42N6O12/c1-22(2,3)42-17(34)26(32(38)39,18(35)43-23(4,5)6)15-28-16(30-21(29-15)31(13)14)27(33(40)41,19(36)44-24(7,8)9)20(37)45-25(10,11)12/h1-14H3InChIKey
FIOCJOSTNHVLHV-UHFFFAOYSA-NSynonyms
(O)(N+)(=O)C(c1nc(nc(n1)C(C(=O)OC(C)(C)C)(C(=O)OC(C)(C)C)(N+)(=O)(O))N(C)C)(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C
CC(C)(C)OC(=O)C(C1=NC(=NC(=N1)N(C)C)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)6(DIMETHYLAMINO)135TRIAZIN2YL)2NITROPROPANEDIOATE
InChI=1SC27H42N6O12c122(23)4217(34)26(32(38)3918(35)4323(45)6)152816(3021(2915)31(13)14)27(33(40)4119(36)4424(78)9)20(37)4525(1011)12h114H3
MFCD01460220
STK015593
TETRATERTBUTYL22(6(DIMETHYLAMINO)135TRIAZINE24DIYL)BIS(NITROPROPANEDIOATE)
ZINC000150361471
ZINC150361471
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.