Vitas-M small molecule compound

dimethyl 7-phenyl-2,4a,5,9-tetrahydro[1,3]dioxepino[5,6-d]pyridazine-1,4-dicarboxylate

Catalog ID
STL327693
SMILES COC(=O)C1=C2COC(OCC2C(=NN1)C(=O)OC)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 C17H18N2O6 MW 346.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H18N2O6/c1-22-15(20)13-11-8-24-17(10-6-4-3-5-7-10)25-9-12(11)14(19-18-13)16(21)23-2/h3-7,11,17,19H,8-9H2,1-2H3
InChIKey
BLCCYGKKNBEQJJ-UHFFFAOYSA-N
Synonyms
329767-30-8
329767308
COC(=O)C1=NNC(=C2C1COC(OC2)C3=CC=CC=C3)C(=O)OC
dimethyl7phenyl24a59tetrahydro(13)dioxepino(56d)pyridazine14dicarboxylate
dimethyl7phenyl3599atetrahydro(13)dioxepino(56d)pyridazine14dicarboxylate
InChI=1SC17H18N2O6c12215(20)131182417(106435710)25912(11)14(191813)16(21)232h37111719H89H212H3
MFCD01612726
ZINC000003905078
ZINC000003905081

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Available files

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