Vitas-M small molecule compound

tetra-tert-butyl 2,2'-[6-(morpholin-4-yl)-1,3,5-triazine-2,4-diyl]bis(nitropropanedioate)

Catalog ID
STK002910
SMILES [O-][N+](=O)C(c1nc(nc(n1)C(C(=O)OC(C)(C)C)(C(=O)OC(C)(C)C)[N+](=O)[O-])N1CCOCC1)(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 C29H44N6O13 MW 684.70 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H44N6O13/c1-24(2,3)45-19(36)28(34(40)41,20(37)46-25(4,5)6)17-30-18(32-23(31-17)33-13-15-44-16-14-33)29(35(42)43,21(38)47-26(7,8)9)22(39)48-27(10,11)12/h13-16H2,1-12H3
InChIKey
KUJLRVPKZXWRIU-UHFFFAOYSA-N
Synonyms

(O)(N+)(=O)C(c1nc(nc(n1)C(C(=O)OC(C)(C)C)(C(=O)OC(C)(C)C)(N+)(=O)(O))N1CCOCC1)(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C
CC(C)(C)OC(=O)C(C1=NC(=NC(=N1)N2CCOCC2)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)6MORPHOLIN4YL135TRIAZIN2YL)2NITROPROPANEDIOATE
InChI=1SC29H44N6O13c124(23)4519(36)28(34(40)4120(37)4625(45)6)173018(3223(3117)33131544161433)29(35(42)4321(38)4726(78)9)22(39)4827(1011)12h1316H2112H3
MFCD03731008
STK002910
TETRATERTBUTYL22(6(MORPHOLIN4YL)135TRIAZINE24DIYL)BIS(NITROPROPANEDIOATE)
TETRATERTBUTYL22(6MORPHOLIN4YL135TRIAZINE24DIYL)BIS(NITROPROPANEDIOATE)
ZINC000150445270
ZINC150445270

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Available files

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