Vitas-M small molecule compound

1-[3-(1,3-benzodioxol-5-yl)-5-(furan-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]ethanone

Catalog ID
STK953349
SMILES CC(=O)N1N=C(CC1c1ccco1)c1ccc2c(c1)OCO2

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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 C16H14N2O4 MW 298.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H14N2O4/c1-10(19)18-13(14-3-2-6-20-14)8-12(17-18)11-4-5-15-16(7-11)22-9-21-15/h2-7,13H,8-9H2,1H3
InChIKey
MBAFGFVZNKCMLA-UHFFFAOYSA-N
Synonyms
946309-86-0
1(3(13benzodioxol5yl)5(furan2yl)45dihydro1Hpyrazol1yl)ethanone
1(3(BENZO(D)(13)DIOXOL5YL)5(FURAN2YL)45DIHYDRO1HPYRAZOL1YL)ETHANONE
1(5(13benzodioxol5yl)3(furan2yl)34dihydropyrazol2yl)ethanone
946309860
CC(=O)N1C(CC(=N1)C2=CC3=C(C=C2)OCO3)C4=CC=CO4
InChI=1SC16H14N2O4c110(19)1813(143262014)812(1718)11451516(711)2292115h2713H89H21H3
MFCD09972543
ZINC000012378253
ZINC000012378254

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Available files

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