Vitas-M small molecule compound

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

Catalog ID
STK951965
SMILES COc1cc(cc(c1OC)OC)C1CC(=NN1C(=O)C)c1cccs1

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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 C18H20N2O4S MW 360.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H20N2O4S/c1-11(21)20-14(10-13(19-20)17-6-5-7-25-17)12-8-15(22-2)18(24-4)16(9-12)23-3/h5-9,14H,10H2,1-4H3
InChIKey
LMHXRZHMUZBNQP-UHFFFAOYSA-N
Synonyms
152432-18-3
1(3(thiophen2yl)5(345trimethoxyphenyl)45dihydro1Hpyrazol1yl)ethanone
1(5THIOPHEN2YL3(345TRIMETHOXYPHENYL)34DIHYDROPYRAZOL2YL)ETHANONE
152432183
CC(=O)N1C(CC(=N1)C2=CC=CS2)C3=CC(=C(C(=C3)OC)OC)OC
InChI=1SC18H20N2O4Sc111(21)2014(1013(1920)176572517)12815(222)18(244)16(912)233h5914H10H214H3
MFCD07188831
ZINC000004511406
ZINC000004511407

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Available files

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