Vitas-M small molecule compound

1-benzothiophen-3-yl[5-(difluoromethyl)-5-hydroxy-3-methyl-4,5-dihydro-1H-pyrazol-1-yl]methanone

Catalog ID
STK431481
SMILES CC1=NN(C(C1)(O)C(F)F)C(=O)c1csc2c1cccc2

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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 C14H12F2N2O2S MW 310.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H12F2N2O2S/c1-8-6-14(20,13(15)16)18(17-8)12(19)10-7-21-11-5-3-2-4-9(10)11/h2-5,7,13,20H,6H2,1H3
InChIKey
PIAWZYGWZKXING-UHFFFAOYSA-N
Synonyms

1benzothiophen3yl(5(difluoromethyl)5hydroxy3methyl45dihydro1Hpyrazol1yl)methanone
1BENZOTHIOPHEN3YL(5(DIFLUOROMETHYL)5HYDROXY3METHYL4HPYRAZOL1YL)METHANONE
BENZO(B)THIOPHEN3YL5(DIFLUOROMETHYL)5HYDROXY3METHYL(2PYRAZOLINYL)KETONE
CC1=NN(C(C1)(C(F)F)O)C(=O)C2=CSC3=CC=CC=C32
InChI=1SC14H12F2N2O2Sc18614(2013(15)16)18(178)12(19)107211153249(10)11h2571320H6H21H3
MFCD03465886
ZINC000000204470
ZINC000000204471

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Available files

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