Vitas-M small molecule compound

[3,5-dimethyl-4-(tricyclo[3.3.1.1~3,7~]dec-1-yl)-1H-pyrazol-1-yl](1-ethyl-4-nitro-1H-pyrazol-3-yl)methanone

Catalog ID
STL394525
SMILES CCn1nc(c(c1)[N+](=O)[O-])C(=O)n1nc(c(c1C)C12CC3CC(C2)CC(C1)C3)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/c1-4-24-11-17(26(28)29)19(23-24)20(27)25-13(3)18(12(2)22-25)21-8-14-5-15(9-21)7-16(6-14)10-21/h11,14-16H,4-10H2,1-3H3
InChIKey
VSPKMRAEEXWCLE-UHFFFAOYSA-N
Synonyms
1005625-26-2
(35dimethyl4(tricyclo(3311~37~)dec1yl)1Hpyrazol1yl)(1ethyl4nitro1Hpyrazol3yl)methanone
(4(1ADAMANTYL)35DIMETHYLPYRAZOL1YL)(1ETHYL4NITROPYRAZOL3YL)METHANONE
1005625262
CCN1C=C(C(=N1)C(=O)N2C(=C(C(=N2)C)C34CC5CC(C3)CC(C5)C4)C)(N+)(=O)(O)
CCn1nc(c(c1)(N+)(=O)(O))C(=O)n1nc(c(c1C)C12CC3CC(C2)CC(C1)C3)C
InChI=1SC21H27N5O3c14241117(26(28)29)19(2324)20(27)2513(3)18(12(2)2225)21814515(921)716(614)1021h111416H410H213H3
ZINC000006490205
ZINC06490205
ZINC6490205

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Available files

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