Vitas-M small molecule compound

methyl 4-{2-[(4-nitrophenyl)acetyl]hydrazinyl}-4-oxobutanoate

Catalog ID
STK329927
SMILES COC(=O)CCC(=O)NNC(=O)Cc1ccc(cc1)[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 C13H15N3O6 MW 309.28 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H15N3O6/c1-22-13(19)7-6-11(17)14-15-12(18)8-9-2-4-10(5-3-9)16(20)21/h2-5H,6-8H2,1H3,(H,14,17)(H,15,18)
InChIKey
JWDBGKOYTKCRKC-UHFFFAOYSA-N
Synonyms

COC(=O)CCC(=O)NNC(=O)CC1=CC=C(C=C1)(N+)(=O)(O)
COC(=O)CCC(=O)NNC(=O)Cc1ccc(cc1)(N+)(=O)(O)
InChI=1SC13H15N3O6c12213(19)7611(17)141512(18)892410(539)16(20)21h25H68H21H3(H1417)(H1518)
methyl4(2((4nitrophenyl)acetyl)hydrazinyl)4oxobutanoate
methyl4(2(2(4nitrophenyl)acetyl)hydrazinyl)4oxobutanoate
MFCD09962117
ZINC000018192687
ZINC18192687

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Available files

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