Vitas-M small molecule compound

4-[(4-{(E)-[2,5-dioxo-1-(prop-2-en-1-yl)imidazolidin-4-ylidene]methyl}phenoxy)methyl]benzoic acid

Catalog ID
STK116342
SMILES C=CCN1C(=O)N/C(=C/c2ccc(cc2)OCc2ccc(cc2)C(=O)O)/C1=O

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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 C21H18N2O5 MW 378.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18N2O5/c1-2-11-23-19(24)18(22-21(23)27)12-14-5-9-17(10-6-14)28-13-15-3-7-16(8-4-15)20(25)26/h2-10,12H,1,11,13H2,(H,22,27)(H,25,26)/b18-12+
InChIKey
PEGPPFAQZORFAK-LDADJPATSA-N
Synonyms

4((4((E)(25DIOXO1(PROP2EN1YL)IMIDAZOLIDIN4YLIDENE)METHYL)PHENOXY)METHYL)BENZOICACID
4((4((E)(25DIOXO1PROP2ENYLIMIDAZOLIDIN4YLIDENE)METHYL)PHENOXY)METHYL)BENZOICACID
C=CCN1C(=O)C(=CC2=CC=C(C=C2)OCC3=CC=C(C=C3)C(=O)O)NC1=O
C=CCN1C(=O)NC(=Cc2ccc(cc2)OCc2ccc(cc2)C(=O)O)C1=O
InChI=1SC21H18N2O5c12112319(24)18(2221(23)27)12145917(10614)2813153716(8415)20(25)26h21012H11113H2(H2227)(H2526)b1812+
MFCD04128669
ZINC000004690769
ZINC4690769

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Available files

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