Vitas-M small molecule compound

(4-chloro-3-nitrophenyl)[4-(2-ethoxyphenyl)piperazin-1-yl]methanone

Catalog ID
STK433527
SMILES CCOc1ccccc1N1CCN(CC1)C(=O)c1ccc(c(c1)[N+](=O)[O-])Cl

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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 C19H20ClN3O4 MW 389.84 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H20ClN3O4/c1-2-27-18-6-4-3-5-16(18)21-9-11-22(12-10-21)19(24)14-7-8-15(20)17(13-14)23(25)26/h3-8,13H,2,9-12H2,1H3
InChIKey
FTHFSHGJRFYWLI-UHFFFAOYSA-N
Synonyms

(4chloro3nitrophenyl)(4(2ethoxyphenyl)piperazin1yl)methanone
4CHLORO3NITROPHENYL4(2ETHOXYPHENYL)PIPERAZINYLKETONE
CCOC1=CC=CC=C1N2CCN(CC2)C(=O)C3=CC(=C(C=C3)Cl)(N+)(=O)(O)
CCOc1ccccc1N1CCN(CC1)C(=O)c1ccc(c(c1)(N+)(=O)(O))Cl
InChI=1SC19H20ClN3O4c122718643516(18)2191122(121021)19(24)147815(20)17(1314)23(25)26h3813H2912H21H3
MFCD03379571
ZINC000001115369
ZINC01115369
ZINC1115369

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.