Vitas-M small molecule compound
{5-[(2-chloro-5-nitrophenoxy)methyl]furan-2-yl}[5-hydroxy-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]methanone
Catalog ID
STK311784
SMILES O=C(N1N=CCC1(O)C(F)(F)F)c1ccc(o1)COc1cc(ccc1Cl)[N+](=O)[O-]
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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 C16H11ClF3N3O6 MW 433.73 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H11ClF3N3O6/c17-11-3-1-9(23(26)27)7-13(11)28-8-10-2-4-12(29-10)14(24)22-15(25,5-6-21-22)16(18,19)20/h1-4,6-7,25H,5,8H2InChIKey
GCYIXDYKERKIFM-UHFFFAOYSA-NSynonyms
832727-98-7(5((2chloro5nitrophenoxy)methyl)furan2yl)(5hydroxy5(trifluoromethyl)45dihydro1Hpyrazol1yl)methanone
(5((2chloro5nitrophenoxy)methyl)furan2yl)(5hydroxy5(trifluoromethyl)4Hpyrazol1yl)methanone
832727987
C1C=NN(C1(C(F)(F)F)O)C(=O)C2=CC=C(O2)COC3=C(C=CC(=C3)(N+)(=O)(O))Cl
InChI=1SC16H11ClF3N3O6c1711319(23(26)27)713(11)288102412(2910)14(24)2215(25562122)16(1819)20h146725H58H2
MFCD04140026
O=C(N1N=CCC1(O)C(F)(F)F)c1ccc(o1)COc1cc(ccc1Cl)(N+)(=O)(O)
ZINC000013960358
ZINC000013960359
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