Vitas-M small molecule compound
2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)-1-[4-(tricyclo[3.3.1.1~3,7~]dec-1-yl)piperazin-1-yl]ethanone
Catalog ID
STK679943
SMILES O=C(N1CCN(CC1)C12CC3CC(C2)CC(C1)C3)Cn1nc(c(c1C)[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 C21H31N5O3 MW 401.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H31N5O3/c1-14-20(26(28)29)15(2)25(22-14)13-19(27)23-3-5-24(6-4-23)21-10-16-7-17(11-21)9-18(8-16)12-21/h16-18H,3-13H2,1-2H3InChIKey
CXSZQZVEAQEGAC-UHFFFAOYSA-NSynonyms
1(4(1ADAMANTYL)PIPERAZIN1YL)2(35DIMETHYL4NITROPYRAZOL1YL)ETHANONE
2(35dimethyl4nitro1Hpyrazol1yl)1(4(tricyclo(3311~37~)dec1yl)piperazin1yl)ethanone
CC1=C(C(=NN1CC(=O)N2CCN(CC2)C34CC5CC(C3)CC(C5)C4)C)(N+)(=O)(O)
InChI=1SC21H31N5O3c11420(26(28)29)15(2)25(2214)1319(27)233524(6423)211016717(1121)918(816)1221h1618H313H212H3
MFCD03766508
O=C(N1CCN(CC1)C12CC3CC(C2)CC(C1)C3)Cn1nc(c(c1C)(N+)(=O)(O))C
ZINC000004127021
ZINC4127021
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