Vitas-M small molecule compound
6,6-dimethyl-2-(1-methyl-1H-indol-3-yl)-5,7-dinitro-1,3-diazatricyclo[3.3.1.1~3,7~]decane
Catalog ID
STK532639
SMILES [O-][N+](=O)C12CN3CC(C2(C)C)(CN(C1)C3c1cn(c2c1cccc2)C)[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 C19H23N5O4 MW 385.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H23N5O4/c1-17(2)18(23(25)26)9-21-11-19(17,24(27)28)12-22(10-18)16(21)14-8-20(3)15-7-5-4-6-13(14)15/h4-8,16H,9-12H2,1-3H3InChIKey
RYIZEKWDQDBTJD-UHFFFAOYSA-NSynonyms
(1R3S5s7s)66dimethyl2(1methyl1Hindol3yl)57dinitro13diazaadamantane
(O)(N+)(=O)C12CN3CC(C2(C)C)(CN(C1)C3c1cn(c2c1cccc2)C)(N+)(=O)(O)
66dimethyl2(1methyl1Hindol3yl)57dinitro13diazatricyclo(3311~37~)decane
CC1(C2(CN3CC1(CN(C2)C3C4=CN(C5=CC=CC=C54)C)(N+)(=O)(O))(N+)(=O)(O))C
InChI=1SC19H23N5O4c117(2)18(23(25)26)9211119(1724(27)28)1222(1018)16(21)14820(3)15754613(14)15h4816H912H213H3
MFCD02995116
ZINC000019325766
ZINC19325766
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