Vitas-M small molecule compound

methyl 2-{[2-(morpholin-4-yl)-3,4-dioxocyclobut-1-en-1-yl]amino}benzoate

Catalog ID
STL408424
SMILES COC(=O)c1ccccc1NC1=C(C(=O)C1=O)N1CCOCC1

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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 C16H16N2O5 MW 316.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H16N2O5/c1-22-16(21)10-4-2-3-5-11(10)17-12-13(15(20)14(12)19)18-6-8-23-9-7-18/h2-5,17H,6-9H2,1H3
InChIKey
ZKNZSAPTJAEAGQ-UHFFFAOYSA-N
Synonyms
1630824-57-5
1630824575
COC(=O)C1=CC=CC=C1NC2=C(C(=O)C2=O)N3CCOCC3
InChI=1SC16H16N2O5c12216(21)10423511(10)171213(15(20)14(12)19)1868239718h2517H69H21H3
methyl2((2(morpholin4yl)34dioxocyclobut1en1yl)amino)benzoate
methyl2((2morpholin4yl34dioxocyclobuten1yl)amino)benzoate
methyl2((2morpholino34dioxocyclobut1en1yl)amino)benzoate
MFCD28367569
ZINC000218281944
ZINC218281944

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Available files

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