Vitas-M small molecule compound

methyl 3-{5-[(E)-(2,5-dioxo-1-phenylimidazolidin-4-ylidene)methyl]furan-2-yl}-2-methylbenzoate

Catalog ID
STK027010
SMILES COC(=O)c1cccc(c1C)c1ccc(o1)/C=C\1/NC(=O)N(C1=O)c1ccccc1

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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 C23H18N2O5 MW 402.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H18N2O5/c1-14-17(9-6-10-18(14)22(27)29-2)20-12-11-16(30-20)13-19-21(26)25(23(28)24-19)15-7-4-3-5-8-15/h3-13H,1-2H3,(H,24,28)/b19-13+
InChIKey
TXFURNCNFCDDDN-CPNJWEJPSA-N
Synonyms

CC1=C(C=CC=C1C(=O)OC)C2=CC=C(O2)C=C3C(=O)N(C(=O)N3)C4=CC=CC=C4
COC(=O)c1cccc(c1C)c1ccc(o1)C=C1NC(=O)N(C1=O)c1ccccc1
InChI=1SC23H18N2O5c11417(961018(14)22(27)292)20121116(3020)131921(26)25(23(28)2419)157435815h313H12H3(H2428)b1913+
METHYL3(5((E)(25DIOXO1PHENYLIMIDAZOLIDIN4YLIDENE)METHYL)FURAN2YL)2METHYLBENZOATE
MFCD03556178
STK027010
ZINC000004593017
ZINC04593017
ZINC4593017

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Available files

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