Vitas-M small molecule compound

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

Catalog ID
STL411446
SMILES COc1ccc(cc1)CNC1=C(C(=O)C1=O)Nc1ccccc1C(=O)OC

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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 C20H18N2O5 MW 366.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18N2O5/c1-26-13-9-7-12(8-10-13)11-21-16-17(19(24)18(16)23)22-15-6-4-3-5-14(15)20(25)27-2/h3-10,21-22H,11H2,1-2H3
InChIKey
RHLLWYKJNGLIRG-UHFFFAOYSA-N
Synonyms
1630831-57-0
1630831570
COC1=CC=C(C=C1)CNC2=C(C(=O)C2=O)NC3=CC=CC=C3C(=O)OC
InChI=1SC20H18N2O5c126139712(81013)11211617(19(24)18(16)23)2215643514(15)20(25)272h3102122H11H212H3
methyl2((2((4methoxybenzyl)amino)34dioxocyclobut1en1yl)amino)benzoate
methyl2((2((4methoxyphenyl)methylamino)34dioxocyclobuten1yl)amino)benzoate
MFCD28367926
ZINC000218332225
ZINC218332225

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Available files

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