Vitas-M small molecule compound
4-bromo-2-(6,6-dimethyl-5,7-dinitro-1,3-diazatricyclo[3.3.1.1~3,7~]dec-2-yl)phenol
Catalog ID
STL058972
SMILES CC1(C)C2(CN3CC1(CN(C2)C3c1cc(Br)ccc1O)[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 C16H19BrN4O5 MW 427.25 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H19BrN4O5/c1-14(2)15(20(23)24)6-18-8-16(14,21(25)26)9-19(7-15)13(18)11-5-10(17)3-4-12(11)22/h3-5,13,22H,6-9H2,1-2H3InChIKey
DTEOSRPGVAAEBK-UHFFFAOYSA-NSynonyms
313270-18-7313270187
4bromo2((1R3S5s7s)66dimethyl57dinitro13diazaadamantan2yl)phenol
4bromo2(66dimethyl57dinitro13diazatricyclo(3311~37~)dec2yl)phenol
CC1(C)C2(CN3CC1(CN(C2)(C@@H)3c1cc(Br)ccc1O)(N+)(=O)(O))(N+)(=O)(O)
CC1(C)C2(CN3CC1(CN(C2)C3c1cc(Br)ccc1O)(N+)(=O)(O))(N+)(=O)(O)
CC1(C2(CN3CC1(CN(C2)C3C4=C(C=CC(=C4)Br)O)(N+)(=O)(O))(N+)(=O)(O))C
InChI=1SC16H19BrN4O5c114(2)15(20(23)24)618816(1421(25)26)919(715)13(18)11510(17)3412(11)22h351322H69H212H3
MFCD01996132
ZINC000019320466
ZINC19320466
Check stock
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