Vitas-M small molecule compound
tetra-tert-butyl 2,2'-{6-[(2-aminoethyl)amino]-1,3,5-triazine-2,4-diyl}bis(nitropropanedioate)
Catalog ID
STK056299
SMILES NCCNc1nc(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 C27H43N7O12 MW 657.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H43N7O12/c1-22(2,3)43-17(35)26(33(39)40,18(36)44-23(4,5)6)15-30-16(32-21(31-15)29-14-13-28)27(34(41)42,19(37)45-24(7,8)9)20(38)46-25(10,11)12/h13-14,28H2,1-12H3,(H,29,30,31,32)InChIKey
QLHASVLNRZOIIC-UHFFFAOYSA-NSynonyms
CC(C)(C)OC(=O)C(C1=NC(=NC(=N1)NCCN)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(2AMINOETHYLAMINO)6(13BIS((2METHYLPROPAN2YL)OXY)2NITRO13DIOXOPROPAN2YL)135TRIAZIN2YL)2NITROPROPANEDIOATE
InChI=1SC27H43N7O12c122(23)4317(35)26(33(39)4018(36)4423(45)6)153016(3221(3115)29141328)27(34(41)4219(37)4524(78)9)20(38)4625(1011)12h131428H2112H3(H29303132)
MFCD01572768
NCCNc1nc(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)
STK056299
TETRATERTBUTYL22(6((2AMINOETHYL)AMINO)135TRIAZINE24DIYL)BIS(NITROPROPANEDIOATE)
ZINC000150363743
ZINC150363743
Check stock
See real-time availability and sample size for STK056299 on the Vitas-M platform.
Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.