Vitas-M small molecule compound

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

Catalog ID
STK682891
SMILES O=C(c1n(C)ncc1[N+](=O)[O-])N1CCN(CC1)C12CC3CC(C2)CC(C1)C3

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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 C19H27N5O3 MW 373.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H27N5O3/c1-21-17(16(12-20-21)24(26)27)18(25)22-2-4-23(5-3-22)19-9-13-6-14(10-19)8-15(7-13)11-19/h12-15H,2-11H2,1H3
InChIKey
DQSVRBDIHPAYGX-UHFFFAOYSA-N
Synonyms

(1methyl4nitro1Hpyrazol5yl)(4(tricyclo(3311~37~)dec1yl)piperazin1yl)methanone
(4(1ADAMANTYL)PIPERAZIN1YL)(2METHYL4NITROPYRAZOL3YL)METHANONE
CN1C(=C(C=N1)(N+)(=O)(O))C(=O)N2CCN(CC2)C34CC5CC(C3)CC(C5)C4
InChI=1SC19H27N5O3c12117(16(122021)24(26)27)18(25)222423(5322)19913614(1019)815(713)1119h1215H211H21H3
MFCD04061171
O=C(c1n(C)ncc1(N+)(=O)(O))N1CCN(CC1)C12CC3CC(C2)CC(C1)C3
ZINC000004653784
ZINC4653784

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Available files

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