Vitas-M small molecule compound

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

Catalog ID
STK015430
SMILES CN1CCN(CC1)C(=O)c1ccc(c(c1)[N+](=O)[O-])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 C13H17N3O3 MW 263.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H17N3O3/c1-10-3-4-11(9-12(10)16(18)19)13(17)15-7-5-14(2)6-8-15/h3-4,9H,5-8H2,1-2H3
InChIKey
DYQYWORUNRWKRG-UHFFFAOYSA-N
Synonyms
321531-36-6
(4METHYL3NITROPHENYL)(4METHYLPIPERAZIN1YL)METHANONE
321531366
4METHYL3NITROPHENYL4METHYLPIPERAZINYLKETONE
CC1=C(C=C(C=C1)C(=O)N2CCN(CC2)C)(N+)(=O)(O)
CN1CCN(CC1)C(=O)c1ccc(c(c1)(N+)(=O)(O))C
InChI=1SC13H17N3O3c1103411(912(10)16(18)19)13(17)157514(2)6815h349H58H212H3
MFCD01211912
STK015430
ZINC000019892190
ZINC19892190

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Available files

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