Vitas-M small molecule compound

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

Catalog ID
STL408219
SMILES COC(=O)c1ccccc1NC1=C(C(=O)C1=O)NCC1COc2c(O1)cccc2

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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 C21H18N2O6 MW 394.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18N2O6/c1-27-21(26)13-6-2-3-7-14(13)23-18-17(19(24)20(18)25)22-10-12-11-28-15-8-4-5-9-16(15)29-12/h2-9,12,22-23H,10-11H2,1H3
InChIKey
DJUOYIOPXNVZEQ-UHFFFAOYSA-N
Synonyms
1630868-92-6
1630868926
COC(=O)C1=CC=CC=C1NC2=C(C(=O)C2=O)NCC3COC4=CC=CC=C4O3
InChI=1SC21H18N2O6c12721(26)13623714(13)231817(19(24)20(18)25)221012112815845916(15)2912h29122223H1011H21H3
methyl2((2(((23dihydrobenzo(b)(14)dioxin2yl)methyl)amino)34dioxocyclobut1en1yl)amino)benzoate
methyl2((2((23dihydro14benzodioxin2ylmethyl)amino)34dioxocyclobut1en1yl)amino)benzoate
methyl2((2(23dihydro14benzodioxin3ylmethylamino)34dioxocyclobuten1yl)amino)benzoate
MFCD28366970
ZINC000218189166
ZINC000218189243

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Available files

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