Vitas-M small molecule compound
tetra-tert-butyl 2,2'-[6-(prop-2-en-1-ylamino)-1,3,5-triazine-2,4-diyl]bis(nitropropanedioate)
Catalog ID
STK028754
SMILES C=CCNc1nc(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 C28H42N6O12 MW 654.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H42N6O12/c1-14-15-29-22-31-16(27(33(39)40,18(35)43-23(2,3)4)19(36)44-24(5,6)7)30-17(32-22)28(34(41)42,20(37)45-25(8,9)10)21(38)46-26(11,12)13/h14H,1,15H2,2-13H3,(H,29,30,31,32)InChIKey
USENYOYQFPAMHA-UHFFFAOYSA-NSynonyms
C=CCNc1nc(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)
CC(C)(C)OC(=O)C(C1=NC(=NC(=N1)NCC=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(PROP2ENYLAMINO)135TRIAZIN2YL)2NITROPROPANEDIOATE
InChI=1SC28H42N6O12c1141529223116(27(33(39)4018(35)4323(23)4)19(36)4424(56)7)3017(3222)28(34(41)4220(37)4525(89)10)21(38)4626(1112)13h14H115H2213H3(H29303132)
MFCD01465242
STK028754
TETRATERTBUTYL22(6(PROP2EN1YLAMINO)135TRIAZINE24DIYL)BIS(NITROPROPANEDIOATE)
ZINC000150360813
ZINC150360813
Check stock
See real-time availability and sample size for STK028754 on the Vitas-M platform.
Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.