Vitas-M small molecule compound

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

Catalog ID
STL398947
SMILES CC1=NN(C(C1)(O)C(F)F)C(=O)c1n[nH]c(c1)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 C16H14F2N4O4 MW 364.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H14F2N4O4/c1-8-6-16(24,15(17)18)22(21-8)14(23)11-5-10(19-20-11)9-2-3-12-13(4-9)26-7-25-12/h2-5,15,24H,6-7H2,1H3,(H,19,20)
InChIKey
QSFIEKFUFLGXKO-UHFFFAOYSA-N
Synonyms
1092799-57-9
(3(13benzodioxol5yl)1Hpyrazol5yl)(5(difluoromethyl)5hydroxy3methyl4Hpyrazol1yl)methanone
(5(13BENZODIOXOL5YL)1HPYRAZOL3YL)(5(DIFLUOROMETHYL)5HYDROXY3METHYL45DIHYDRO1HPYRAZOL1YL)METHANONE
1092799579
CC1=NN(C(C1)(C(F)F)O)C(=O)C2=CC(=NN2)C3=CC4=C(C=C3)OCO4
CC1=NN(C(C1)(O)C(F)F)C(=O)c1n(nH)c(c1)c1ccc2c(c1)OCO2
InChI=1SC16H14F2N4O4c18616(2415(17)18)22(218)14(23)11510(192011)9231213(49)2672512h251524H67H21H3(H1920)
MFCD04046240
ZINC000006394712
ZINC000006395328

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Available files

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