Vitas-M small molecule compound

(4-methoxy-3-nitrophenyl)(4-methylpiperazin-1-yl)methanone

Catalog ID
STK076195
SMILES COc1ccc(cc1[N+](=O)[O-])C(=O)N1CCN(CC1)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 C13H17N3O4 MW 279.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H17N3O4/c1-14-5-7-15(8-6-14)13(17)10-3-4-12(20-2)11(9-10)16(18)19/h3-4,9H,5-8H2,1-2H3
InChIKey
SEBCMXBMRAVLDL-UHFFFAOYSA-N
Synonyms
349399-03-7
(4METHOXY3NITROPHENYL)(4METHYLPIPERAZIN1YL)METHANONE
349399037
4METHOXY3NITROPHENYL4METHYLPIPERAZINYLKETONE
CN1CCN(CC1)C(=O)C2=CC(=C(C=C2)OC)(N+)(=O)(O)
COc1ccc(cc1(N+)(=O)(O))C(=O)N1CCN(CC1)C
InChI=1SC13H17N3O4c1145715(8614)13(17)103412(202)11(910)16(18)19h349H58H212H3
MFCD01216484
STK076195
ZINC000000117078
ZINC117078

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Available files

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