Vitas-M small molecule compound

methyl 3-[(4-methylpiperazin-1-yl)carbonyl]-5-nitrobenzoate

Catalog ID
STK078641
SMILES COC(=O)c1cc(cc(c1)[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 C14H17N3O5 MW 307.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H17N3O5/c1-15-3-5-16(6-4-15)13(18)10-7-11(14(19)22-2)9-12(8-10)17(20)21/h7-9H,3-6H2,1-2H3
InChIKey
WAFVDTBHORAOJO-UHFFFAOYSA-N
Synonyms
329932-25-4
329932254
CN1CCN(CC1)C(=O)C2=CC(=CC(=C2)(N+)(=O)(O))C(=O)OC
COC(=O)c1cc(cc(c1)(N+)(=O)(O))C(=O)N1CCN(CC1)C
InChI=1SC14H17N3O5c1153516(6415)13(18)10711(14(19)222)912(810)17(20)21h79H36H212H3
METHYL3((4METHYLPIPERAZIN1YL)CARBONYL)5NITROBENZOATE
METHYL3((4METHYLPIPERAZINYL)CARBONYL)5NITROBENZOATE
METHYL3(4METHYLPIPERAZINE1CARBONYL)5NITROBENZOATE
MFCD01196997
STK078641
ZINC000020149799
ZINC20149799

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Available files

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