Vitas-M small molecule compound

[4-(2-methoxyphenyl)piperazin-1-yl](5-nitrofuran-2-yl)methanone

Catalog ID
STK030056
SMILES COc1ccccc1N1CCN(CC1)C(=O)c1ccc(o1)[N+](=O)[O-]

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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 C16H17N3O5 MW 331.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H17N3O5/c1-23-13-5-3-2-4-12(13)17-8-10-18(11-9-17)16(20)14-6-7-15(24-14)19(21)22/h2-7H,8-11H2,1H3
InChIKey
VLHRWDNJVHFQJR-UHFFFAOYSA-N
Synonyms
349097-28-5
(4(2METHOXYPHENYL)PIPERAZIN1YL)(5NITROFURAN2YL)METHANONE
349097285
4(2METHOXYPHENYL)PIPERAZINYL5NITRO(2FURYL)KETONE
COC1=CC=CC=C1N2CCN(CC2)C(=O)C3=CC=C(O3)(N+)(=O)(O)
COc1ccccc1N1CCN(CC1)C(=O)c1ccc(o1)(N+)(=O)(O)
InChI=1SC16H17N3O5c12313532412(13)1781018(11917)16(20)146715(2414)19(21)22h27H811H21H3
MFCD01212550
STK030056
ZINC000000038980
ZINC00038980
ZINC38980

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Available files

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