Vitas-M small molecule compound
2-(1-benzyl-1H-indol-3-yl)-6,6-dimethyl-5,7-dinitro-1,3-diazatricyclo[3.3.1.1~3,7~]decane
Catalog ID
STK531908
SMILES [O-][N+](=O)C12CN3CC(C2(C)C)(CN(C1)C3c1cn(c2c1cccc2)Cc1ccccc1)[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 C25H27N5O4 MW 461.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H27N5O4/c1-23(2)24(29(31)32)14-27-16-25(23,30(33)34)17-28(15-24)22(27)20-13-26(12-18-8-4-3-5-9-18)21-11-7-6-10-19(20)21/h3-11,13,22H,12,14-17H2,1-2H3InChIKey
GPNKQSKNGTWCRG-UHFFFAOYSA-NSynonyms
(1R3S5s7s)2(1benzyl1Hindol3yl)66dimethyl57dinitro13diazaadamantane
(O)(N+)(=O)C12CN3CC(C2(C)C)(CN(C1)C3c1cn(c2c1cccc2)Cc1ccccc1)(N+)(=O)(O)
2(1benzyl1Hindol3yl)66dimethyl57dinitro13diazatricyclo(3311~37~)decane
CC1(C2(CN3CC1(CN(C2)C3C4=CN(C5=CC=CC=C54)CC6=CC=CC=C6)(N+)(=O)(O))(N+)(=O)(O))C
InChI=1SC25H27N5O4c123(2)24(29(31)32)14271625(2330(33)34)1728(1524)22(27)201326(12188435918)2111761019(20)21h3111322H121417H212H3
MFCD02996480
ZINC000019324645
ZINC19324645
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