Vitas-M small molecule compound

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

Catalog ID
STK470426
SMILES Clc1ccc(c(c1)[N+](=O)[O-])C(=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 C21H26ClN3O3 MW 403.91 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H26ClN3O3/c22-17-1-2-18(19(10-17)25(27)28)20(26)23-3-5-24(6-4-23)21-11-14-7-15(12-21)9-16(8-14)13-21/h1-2,10,14-16H,3-9,11-13H2
InChIKey
FWQIUZYCELRWAH-UHFFFAOYSA-N
Synonyms

(4(1adamantyl)piperazin1yl)(4chloro2nitrophenyl)methanone
(4chloro2nitrophenyl)(4(tricyclo(3311~37~)dec1yl)piperazin1yl)methanone
4ADAMANTANYLPIPERAZINYL4CHLORO2NITROPHENYLKETONE
C1CN(CCN1C(=O)C2=C(C=C(C=C2)Cl)(N+)(=O)(O))C34CC5CC(C3)CC(C5)C4
Clc1ccc(c(c1)(N+)(=O)(O))C(=O)N1CCN(CC1)C12CC3CC(C2)CC(C1)C3
InChI=1SC21H26ClN3O3c22171218(19(1017)25(27)28)20(26)233524(6423)211114715(1221)916(814)1321h12101416H391113H2
ZINC000017082770
ZINC17082770

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Available files

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