Vitas-M small molecule compound

2-(2,3-dimethylphenoxy)-1-[4-(4-methoxy-2-nitrophenyl)piperazin-1-yl]ethanone

Catalog ID
STK347322
SMILES COc1ccc(c(c1)[N+](=O)[O-])N1CCN(CC1)C(=O)COc1cccc(c1C)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 C21H25N3O5 MW 399.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H25N3O5/c1-15-5-4-6-20(16(15)2)29-14-21(25)23-11-9-22(10-12-23)18-8-7-17(28-3)13-19(18)24(26)27/h4-8,13H,9-12,14H2,1-3H3
InChIKey
NXSRSCYNJLCOET-UHFFFAOYSA-N
Synonyms

1((23DIMETHYLPHENOXY)ACETYL)4(4METHOXY2NITROPHENYL)PIPERAZINE
2(23dimethylphenoxy)1(4(4methoxy2nitrophenyl)piperazin1yl)ethanone
2(23DIMETHYLPHENOXY)1(4(4METHOXY2NITROPHENYL)PIPERAZINYL)ETHAN1ONE
CC1=C(C(=CC=C1)OCC(=O)N2CCN(CC2)C3=C(C=C(C=C3)OC)(N+)(=O)(O))C
COc1ccc(c(c1)(N+)(=O)(O))N1CCN(CC1)C(=O)COc1cccc(c1C)C
InChI=1SC21H25N3O5c11554620(16(15)2)291421(25)2311922(101223)188717(283)1319(18)24(26)27h4813H91214H213H3
MFCD05661820
ZINC000004125225
ZINC04125225
ZINC4125225

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Available files

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