Vitas-M small molecule compound
tetra-tert-butyl 2,2'-[6-(benzylamino)-1,3,5-triazine-2,4-diyl]bis(nitropropanedioate)
Catalog ID
STK045184
SMILES [O-][N+](=O)C(c1nc(NCc2ccccc2)nc(n1)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 C32H44N6O12 MW 704.73 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H44N6O12/c1-27(2,3)47-22(39)31(37(43)44,23(40)48-28(4,5)6)20-34-21(36-26(35-20)33-18-19-16-14-13-15-17-19)32(38(45)46,24(41)49-29(7,8)9)25(42)50-30(10,11)12/h13-17H,18H2,1-12H3,(H,33,34,35,36)InChIKey
XOHMMKWALSOXKY-UHFFFAOYSA-NSynonyms
(O)(N+)(=O)C(c1nc(NCc2ccccc2)nc(n1)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)NCC2=CC=CC=C2)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(BENZYLAMINO)6(13BIS((2METHYLPROPAN2YL)OXY)2NITRO13DIOXOPROPAN2YL)135TRIAZIN2YL)2NITROPROPANEDIOATE
InChI=1SC32H44N6O12c127(23)4722(39)31(37(43)4423(40)4828(45)6)203421(3626(3520)331819161413151719)32(38(45)4624(41)4929(78)9)25(42)5030(1011)12h1317H18H2112H3(H33343536)
MFCD03731007
STK045184
TETRATERTBUTYL22(6(BENZYLAMINO)135TRIAZINE24DIYL)BIS(NITROPROPANEDIOATE)
ZINC000150445261
ZINC150445261
Check stock
See real-time availability and sample size for STK045184 on the Vitas-M platform.
Check stock on Vitas-MAvailable files
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