Vitas-M small molecule compound
[3,5-bis(difluoromethyl)-5-hydroxy-4,5-dihydro-1H-pyrazol-1-yl]{5-[(2-chloro-5-nitrophenoxy)methyl]furan-2-yl}methanone
Catalog ID
STK305935
SMILES FC(C1(O)CC(=NN1C(=O)c1ccc(o1)COc1cc(ccc1Cl)[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 C17H12ClF4N3O6 MW 465.75 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H12ClF4N3O6/c18-10-3-1-8(25(28)29)5-13(10)30-7-9-2-4-12(31-9)15(26)24-17(27,16(21)22)6-11(23-24)14(19)20/h1-5,14,16,27H,6-7H2InChIKey
IKLKKHXJBNAFRR-UHFFFAOYSA-NSynonyms
677766-62-0(35bis(difluoromethyl)5hydroxy45dihydro1Hpyrazol1yl)(5((2chloro5nitrophenoxy)methyl)furan2yl)methanone
(35BIS(DIFLUOROMETHYL)5HYDROXY4HPYRAZOL1YL)(5((2CHLORO5NITROPHENOXY)METHYL)FURAN2YL)METHANONE
677766620
C1C(=NN(C1(C(F)F)O)C(=O)C2=CC=C(O2)COC3=C(C=CC(=C3)(N+)(=O)(O))Cl)C(F)F
FC(C1(O)CC(=NN1C(=O)c1ccc(o1)COc1cc(ccc1Cl)(N+)(=O)(O))C(F)F)F
InChI=1SC17H12ClF4N3O6c1810318(25(28)29)513(10)30792412(319)15(26)2417(2716(21)22)611(2324)14(19)20h15141627H67H2
MFCD04046252
ZINC000013959745
ZINC000013959746
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