Vitas-M small molecule compound
(1,3-dimethyl-4-nitro-1H-pyrazol-5-yl)[3,5-dimethyl-4-(tricyclo[3.3.1.1~3,7~]dec-1-yl)-1H-pyrazol-1-yl]methanone
Catalog ID
STK303286
SMILES Cc1nn(c(c1C12CC3CC(C2)CC(C1)C3)C)C(=O)c1n(C)nc(c1[N+](=O)[O-])C
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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 C21H27N5O3 MW 397.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H27N5O3/c1-11-17(21-8-14-5-15(9-21)7-16(6-14)10-21)13(3)25(23-11)20(27)19-18(26(28)29)12(2)22-24(19)4/h14-16H,5-10H2,1-4H3InChIKey
UIUYOYFOHANHMR-UHFFFAOYSA-NSynonyms
1005693-14-0(13dimethyl4nitro1Hpyrazol5yl)(35dimethyl4(tricyclo(3311~37~)dec1yl)1Hpyrazol1yl)methanone
(4(1ADAMANTYL)35DIMETHYLPYRAZOL1YL)(25DIMETHYL4NITROPYRAZOL3YL)METHANONE
1005693140
CC1=C(C(=NN1C(=O)C2=C(C(=NN2C)C)(N+)(=O)(O))C)C34CC5CC(C3)CC(C5)C4
Cc1nn(c(c1C12CC3CC(C2)CC(C1)C3)C)C(=O)c1n(C)nc(c1(N+)(=O)(O))C
InChI=1SC21H27N5O3c11117(21814515(921)716(614)1021)13(3)25(2311)20(27)1918(26(28)29)12(2)2224(19)4h1416H510H214H3
MFCD04049952
ZINC000006525966
ZINC06525966
ZINC6525966
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