Vitas-M small molecule compound

(4-chloro-2-nitrophenyl)[4-(3-methyltricyclo[3.3.1.1~3,7~]dec-1-yl)piperazin-1-yl]methanone

Catalog ID
STK470504
SMILES Clc1ccc(c(c1)[N+](=O)[O-])C(=O)N1CCN(CC1)C12CC3CC(C1)CC(C2)(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 C22H28ClN3O3 MW 417.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H28ClN3O3/c1-21-10-15-8-16(11-21)13-22(12-15,14-21)25-6-4-24(5-7-25)20(27)18-3-2-17(23)9-19(18)26(28)29/h2-3,9,15-16H,4-8,10-14H2,1H3
InChIKey
OPNSLEXZPQMVKU-UHFFFAOYSA-N
Synonyms

(4chloro2nitrophenyl)(4(3methyl1adamantyl)piperazin1yl)methanone
(4chloro2nitrophenyl)(4(3methyltricyclo(3311~37~)dec1yl)piperazin1yl)methanone
4CHLORO2NITROPHENYL4(3METHYLADAMANTANYL)PIPERAZINYLKETONE
CC12CC3CC(C1)CC(C3)(C2)N4CCN(CC4)C(=O)C5=C(C=C(C=C5)Cl)(N+)(=O)(O)
Clc1ccc(c(c1)(N+)(=O)(O))C(=O)N1CCN(CC1)C12CC3CC(C1)CC(C2)(C3)C
InChI=1SC22H28ClN3O3c1211015816(1121)1322(12151421)256424(5725)20(27)183217(23)919(18)26(28)29h2391516H481014H21H3
ZINC000017091267

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Available files

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