Vitas-M small molecule compound

[4-(4-nitrophenyl)piperazin-1-yl](2,4,5-trimethoxyphenyl)methanone

Catalog ID
STK225604
SMILES COc1cc(OC)c(cc1C(=O)N1CCN(CC1)c1ccc(cc1)[N+](=O)[O-])OC

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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 C20H23N3O6 MW 401.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H23N3O6/c1-27-17-13-19(29-3)18(28-2)12-16(17)20(24)22-10-8-21(9-11-22)14-4-6-15(7-5-14)23(25)26/h4-7,12-13H,8-11H2,1-3H3
InChIKey
IKQNHGGQPZWEPP-UHFFFAOYSA-N
Synonyms

(4(4nitrophenyl)piperazin1yl)(245trimethoxyphenyl)methanone
COC1=CC(=C(C=C1C(=O)N2CCN(CC2)C3=CC=C(C=C3)(N+)(=O)(O))OC)OC
COc1cc(OC)c(cc1C(=O)N1CCN(CC1)c1ccc(cc1)(N+)(=O)(O))OC
InChI=1SC20H23N3O6c127171319(293)18(282)1216(17)20(24)2210821(91122)144615(7514)23(25)26h471213H811H213H3
MFCD05987085
ZINC000004749637
ZINC04749637
ZINC4749637

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Available files

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