Vitas-M small molecule compound

(4-methyl-3-nitrophenyl)[4-(tricyclo[3.3.1.1~3,7~]dec-1-yl)piperazin-1-yl]methanone

Catalog ID
STK679879
SMILES O=C(c1ccc(c(c1)[N+](=O)[O-])C)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 C22H29N3O3 MW 383.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H29N3O3/c1-15-2-3-19(11-20(15)25(27)28)21(26)23-4-6-24(7-5-23)22-12-16-8-17(13-22)10-18(9-16)14-22/h2-3,11,16-18H,4-10,12-14H2,1H3
InChIKey
MLHOTBNSDYBFSA-UHFFFAOYSA-N
Synonyms

(4(1ADAMANTYL)PIPERAZIN1YL)(4METHYL3NITROPHENYL)METHANONE
(4ADAMANTAN1YLPIPERAZIN1YL)(4METHYL3NITROPHENYL)METHANONE
(4methyl3nitrophenyl)(4(tricyclo(3311~37~)dec1yl)piperazin1yl)methanone
4ADAMANTANYLPIPERAZINYL4METHYL3NITROPHENYLKETONE
CC1=C(C=C(C=C1)C(=O)N2CCN(CC2)C34CC5CC(C3)CC(C5)C4)(N+)(=O)(O)
InChI=1SC22H29N3O3c1152319(1120(15)25(27)28)21(26)234624(7523)221216817(1322)1018(916)1422h23111618H4101214H21H3
MFCD03766273
O=C(c1ccc(c(c1)(N+)(=O)(O))C)N1CCN(CC1)C12CC3CC(C2)CC(C1)C3
ZINC000004594586
ZINC4594586

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Available files

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