Vitas-M small molecule compound

[4-(3-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-4-nitrophenyl)piperazin-1-yl](2-fluorophenyl)methanone

Catalog ID
STK148672
SMILES COc1cc(CCNc2cc(ccc2[N+](=O)[O-])N2CCN(CC2)C(=O)c2ccccc2F)ccc1OC

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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 C27H29FN4O5 MW 508.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H29FN4O5/c1-36-25-10-7-19(17-26(25)37-2)11-12-29-23-18-20(8-9-24(23)32(34)35)30-13-15-31(16-14-30)27(33)21-5-3-4-6-22(21)28/h3-10,17-18,29H,11-16H2,1-2H3
InChIKey
FXPLKDJYULQDEO-UHFFFAOYSA-N
Synonyms

(4(3((2(34DIMETHOXYPHENYL)ETHYL)AMINO)4NITROPHENYL)PIPERAZIN1YL)(2FLUOROPHENYL)METHANONE
(4(3(2(34DIMETHOXYPHENYL)ETHYLAMINO)4NITROPHENYL)PIPERAZIN1YL)(2FLUOROPHENYL)METHANONE
4(3((2(34DIMETHOXYPHENYL)ETHYL)AMINO)4NITROPHENYL)PIPERAZINYL2FLUOROPHENYLKETONE
COC1=C(C=C(C=C1)CCNC2=C(C=CC(=C2)N3CCN(CC3)C(=O)C4=CC=CC=C4F)(N+)(=O)(O))OC
COc1cc(CCNc2cc(ccc2(N+)(=O)(O))N2CCN(CC2)C(=O)c2ccccc2F)ccc1OC
InChI=1SC27H29FN4O5c1362510719(1726(25)372)111229231820(8924(23)32(34)35)30131531(161430)27(33)21534622(21)28h310171829H1116H212H3
MFCD02109732
N(2(34DIMETHOXYPHENYL)ETHYL)5(4(2FLUOROBENZOYL)1PIPERAZINYL)2NITROANILINE
ZINC000008666957
ZINC08666957
ZINC8666957

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Available files

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