Vitas-M small molecule compound

ethyl (3E)-3-{2-[4-oxo-4-(phenylamino)butanoyl]hydrazinylidene}butanoate

Catalog ID
STK121307
SMILES CCOC(=O)C/C(=N/NC(=O)CCC(=O)Nc1ccccc1)/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 C16H21N3O4 MW 319.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H21N3O4/c1-3-23-16(22)11-12(2)18-19-15(21)10-9-14(20)17-13-7-5-4-6-8-13/h4-8H,3,9-11H2,1-2H3,(H,17,20)(H,19,21)/b18-12+
InChIKey
PUNDYZMJESMVGK-LDADJPATSA-N
Synonyms

CCOC(=O)CC(=NNC(=O)CCC(=O)NC1=CC=CC=C1)C
CCOC(=O)CC(=NNC(=O)CCC(=O)Nc1ccccc1)C
ethyl(3E)3((4anilino4oxobutanoyl)hydrazinylidene)butanoate
ETHYL(3E)3(2(4OXO4(PHENYLAMINO)BUTANOYL)HYDRAZINYLIDENE)BUTANOATE
InChI=1SC16H21N3O4c132316(22)1112(2)181915(21)10914(20)17137546813h48H3911H212H3(H1720)(H1921)b1812+
MFCD02151522
ZINC000004698705
ZINC100218388

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Available files

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