Vitas-M small molecule compound
6,6-dimethyl-5,7-dinitro-2-[4-(prop-2-en-1-yloxy)phenyl]-1,3-diazatricyclo[3.3.1.1~3,7~]decane
Catalog ID
STK831242
SMILES C=CCOc1ccc(cc1)C1N2CC3(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 C19H24N4O5 MW 388.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H24N4O5/c1-4-9-28-15-7-5-14(6-8-15)16-20-10-18(22(24)25)11-21(16)13-19(12-20,23(26)27)17(18,2)3/h4-8,16H,1,9-13H2,2-3H3InChIKey
XNDZGSXFQBRREG-UHFFFAOYSA-NSynonyms
(1R3S5s7s)2(4(allyloxy)phenyl)66dimethyl57dinitro13diazaadamantane
66dimethyl57dinitro2(4(prop2en1yloxy)phenyl)13diazatricyclo(3311~37~)decane
C=CCOc1ccc(cc1)C1N2CC3(CN1CC(C2)(C3(C)C)(N+)(=O)(O))(N+)(=O)(O)
CC1(C2(CN3CC1(CN(C2)C3C4=CC=C(C=C4)OCC=C)(N+)(=O)(O))(N+)(=O)(O))C
InChI=1SC19H24N4O5c14928157514(6815)16201018(22(24)25)1121(16)1319(122023(26)27)17(182)3h4816H1913H223H3
MFCD02764226
ZINC000019319739
ZINC19319739
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