Vitas-M small molecule compound

methyl 4-{5-[(E)-(4H-1,2,4-triazol-4-ylimino)methyl]furan-2-yl}benzoate

Catalog ID
STK385586
SMILES COC(=O)c1ccc(cc1)c1ccc(o1)/C=N/n1cnnc1

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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 C15H12N4O3 MW 296.29 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H12N4O3/c1-21-15(20)12-4-2-11(3-5-12)14-7-6-13(22-14)8-18-19-9-16-17-10-19/h2-10H,1H3/b18-8+
InChIKey
QTAKCESTOSKHRU-QGMBQPNBSA-N
Synonyms

COC(=O)C1=CC=C(C=C1)C2=CC=C(O2)C=NN3C=NN=C3
COC(=O)c1ccc(cc1)c1ccc(o1)C=Nn1cnnc1
InChI=1SC15H12N4O3c12115(20)124211(3512)147613(2214)81819916171019h210H1H3b188+
METHYL4(5((E)(4H124TRIAZOL4YLIMINO)METHYL)FURAN2YL)BENZOATE
METHYL4(5((E)124TRIAZOL4YLIMINOMETHYL)FURAN2YL)BENZOATE
MFCD02123355
ZINC000023402402
ZINC4510549

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Available files

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