Vitas-M small molecule compound

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

Catalog ID
STK172374
SMILES Clc1ccc(c(c1)[N+](=O)[O-])N1CCN(CC1)C(=O)CC12CC3CC(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 C22H28ClN3O3 MW 417.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H28ClN3O3/c23-18-1-2-19(20(10-18)26(28)29)24-3-5-25(6-4-24)21(27)14-22-11-15-7-16(12-22)9-17(8-15)13-22/h1-2,10,15-17H,3-9,11-14H2
InChIKey
KLMSRPYKJVROON-UHFFFAOYSA-N
Synonyms
672342-96-0
1(4(4chloro2nitrophenyl)piperazin1yl)2(tricyclo(3311~37~)dec1yl)ethanone
2(1ADAMANTYL)1(4(4CHLORO2NITROPHENYL)PIPERAZIN1YL)ETHANONE
672342960
C1CN(CCN1C2=C(C=C(C=C2)Cl)(N+)(=O)(O))C(=O)CC34CC5CC(C3)CC(C5)C4
Clc1ccc(c(c1)(N+)(=O)(O))N1CCN(CC1)C(=O)CC12CC3CC(C2)CC(C1)C3
InChI=1SC22H28ClN3O3c23181219(20(1018)26(28)29)243525(6424)21(27)14221115716(1222)917(815)1322h12101517H391114H2
MFCD04075174
ZINC000004703746
ZINC04703746
ZINC4703746

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Available files

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