Vitas-M small molecule compound

2-(but-3-en-1-yl)-2,6,6-trimethyl-5,7-dinitro-1,3-diazatricyclo[3.3.1.1~3,7~]decane

Catalog ID
STK722543
SMILES C=CCCC1(C)N2CC3(CN1CC(C2)(C3(C)C)[N+](=O)[O-])[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 C15H24N4O4 MW 324.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H24N4O4/c1-5-6-7-13(4)16-8-14(18(20)21)9-17(13)11-15(10-16,19(22)23)12(14,2)3/h5H,1,6-11H2,2-4H3
InChIKey
XZYMJKMXLAOQGY-UHFFFAOYSA-N
Synonyms
448908-63-2
(1R3S5s7s)2(but3en1yl)266trimethyl57dinitro13diazaadamantane
2(but3en1yl)266trimethyl57dinitro13diazatricyclo(3311~37~)decane
448908632
C=CCCC1(C)N2CC3(CN1CC(C2)(C3(C)C)(N+)(=O)(O))(N+)(=O)(O)
CC1(C2(CN3CC1(CN(C2)C3(C)CCC=C)(N+)(=O)(O))(N+)(=O)(O))C
InChI=1SC15H24N4O4c156713(4)16814(18(20)21)917(13)1115(101619(22)23)12(142)3h5H1611H224H3
MFCD03069069
ZINC000019319776
ZINC19319776

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Available files

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