Vitas-M small molecule compound

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

Catalog ID
STL410931
SMILES COC(=O)c1ccccc1NC1=C(C(=O)C1=O)NC1CCCCC1

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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 C18H20N2O4 MW 328.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H20N2O4/c1-24-18(23)12-9-5-6-10-13(12)20-15-14(16(21)17(15)22)19-11-7-3-2-4-8-11/h5-6,9-11,19-20H,2-4,7-8H2,1H3
InChIKey
CWLTXSYHEMOCBZ-UHFFFAOYSA-N
Synonyms
1574339-11-9
COC(=O)C1=CC=CC=C1NC2=C(C(=O)C2=O)NC3CCCCC3
methyl2((2(cyclohexylamino)34dioxocyclobut1en1yl)amino)benzoate
methyl2((2(cyclohexylamino)34dioxocyclobuten1yl)amino)benzoate
Registry IDs
MFCD28058391
ZINC000108452553
ZINC108452553

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Available files

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