Vitas-M small molecule compound
6,6-dimethyl-5,7-dinitro-2-(thiophen-2-yl)-1,3-diazatricyclo[3.3.1.1~3,7~]decane
Catalog ID
STL234002
SMILES [O-][N+](=O)C12CN3CC(C2(C)C)(CN(C1)C3c1cccs1)[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 C14H18N4O4S MW 338.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H18N4O4S/c1-12(2)13(17(19)20)6-15-8-14(12,18(21)22)9-16(7-13)11(15)10-4-3-5-23-10/h3-5,11H,6-9H2,1-2H3InChIKey
GTMIQSSLOPTCST-UHFFFAOYSA-NSynonyms
500103-90-2(1R3S5s7s)66dimethyl57dinitro2(thiophen2yl)13diazaadamantane
(O)(N+)(=O)C12CN3CC(C2(C)C)(CN(C1)C3c1cccs1)(N+)(=O)(O)
500103902
66dimethyl57dinitro2(thiophen2yl)13diazatricyclo(3311~37~)decane
CC1(C2(CN3CC1(CN(C2)C3C4=CC=CS4)(N+)(=O)(O))(N+)(=O)(O))C
InChI=1SC14H18N4O4Sc112(2)13(17(19)20)615814(1218(21)22)916(713)11(15)104352310h3511H69H212H3
MFCD03303949
ZINC000019320594
ZINC19320594
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