Vitas-M small molecule compound

[3,5-bis(difluoromethyl)-5-hydroxy-4,5-dihydro-1H-pyrazol-1-yl]{5-[(4-nitrophenoxy)methyl]furan-2-yl}methanone

Catalog ID
STK302237
SMILES FC(C1(O)CC(=NN1C(=O)c1ccc(o1)COc1ccc(cc1)[N+](=O)[O-])C(F)F)F

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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 C17H13F4N3O6 MW 431.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H13F4N3O6/c18-14(19)12-7-17(26,16(20)21)23(22-12)15(25)13-6-5-11(30-13)8-29-10-3-1-9(2-4-10)24(27)28/h1-6,14,16,26H,7-8H2
InChIKey
UQCAMPOHXLTRGV-UHFFFAOYSA-N
Synonyms
438235-61-1
(35bis(difluoromethyl)5hydroxy45dihydro1Hpyrazol1yl)(5((4nitrophenoxy)methyl)furan2yl)methanone
(35BIS(DIFLUOROMETHYL)5HYDROXY4HPYRAZOL1YL)(5((4NITROPHENOXY)METHYL)FURAN2YL)METHANONE
35BIS(DIFLUOROMETHYL)1(5((4NITROPHENOXY)METHYL)2FUROYL)45DIHYDRO1HPYRAZOL5OL
438235611
C1C(=NN(C1(C(F)F)O)C(=O)C2=CC=C(O2)COC3=CC=C(C=C3)(N+)(=O)(O))C(F)F
FC(C1(O)CC(=NN1C(=O)c1ccc(o1)COc1ccc(cc1)(N+)(=O)(O))C(F)F)F
InChI=1SC17H13F4N3O6c1814(19)12717(2616(20)21)23(2212)15(25)136511(3013)82910319(2410)24(27)28h16141626H78H2
MFCD03467893
ZINC000000654132
ZINC000000654136

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Available files

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