Vitas-M small molecule compound
{5-[(2-chloro-5-nitrophenoxy)methyl]furan-2-yl}[5-hydroxy-3-methyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]methanone
Catalog ID
STK305821
SMILES O=C(N1N=C(CC1(O)C(F)(F)F)C)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 C17H13ClF3N3O6 MW 447.75 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H13ClF3N3O6/c1-9-7-16(26,17(19,20)21)23(22-9)15(25)13-5-3-11(30-13)8-29-14-6-10(24(27)28)2-4-12(14)18/h2-6,26H,7-8H2,1H3InChIKey
HIGSUTUCQKIYNK-UHFFFAOYSA-NSynonyms
680596-15-0(5((2chloro5nitrophenoxy)methyl)furan2yl)(5hydroxy3methyl5(trifluoromethyl)45dihydro1Hpyrazol1yl)methanone
(5((2chloro5nitrophenoxy)methyl)furan2yl)(5hydroxy3methyl5(trifluoromethyl)4Hpyrazol1yl)methanone
680596150
CC1=NN(C(C1)(C(F)(F)F)O)C(=O)C2=CC=C(O2)COC3=C(C=CC(=C3)(N+)(=O)(O))Cl
InChI=1SC17H13ClF3N3O6c19716(2617(1920)21)23(229)15(25)135311(3013)82914610(24(27)28)2412(14)18h2626H78H21H3
MFCD04046247
O=C(N1N=C(CC1(O)C(F)(F)F)C)c1ccc(o1)COc1cc(ccc1Cl)(N+)(=O)(O)
ZINC000013959734
ZINC000013959735
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