Vitas-M small molecule compound

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methyl-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide

Catalog ID
STK782010
SMILES O=C(c1cc(nn1C)C(F)(F)F)Nc1ccc2c(c1)OCCO2

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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 C14H12F3N3O3 MW 327.26 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H12F3N3O3/c1-20-9(7-12(19-20)14(15,16)17)13(21)18-8-2-3-10-11(6-8)23-5-4-22-10/h2-3,6-7H,4-5H2,1H3,(H,18,21)
InChIKey
QLZKPIRYTVZIHG-UHFFFAOYSA-N
Synonyms

CN1C(=CC(=N1)C(F)(F)F)C(=O)NC2=CC3=C(C=C2)OCCO3
InChI=1SC14H12F3N3O3c1209(712(1920)14(1516)17)13(21)188231011(68)23542210h2367H45H21H3(H1821)
MFCD06016308
N(23dihydro14benzodioxin6yl)1methyl3(trifluoromethyl)1Hpyrazole5carboxamide
N(23DIHYDRO14BENZODIOXIN6YL)2METHYL5(TRIFLUOROMETHYL)PYRAZOLE3CARBOXAMIDE
N(2H3HBENZO(E)14DIOXAN6YL)(1METHYL3(TRIFLUOROMETHYL)PYRAZOL5YL)CARBOXAMIDE
ZINC000004727280
ZINC04727280
ZINC4727280

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Available files

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