Vitas-M small molecule compound
(4Z)-2-(3-chlorophenyl)-4-{3-methoxy-4-[4-nitro-2-(trifluoromethyl)phenoxy]benzylidene}-5-methyl-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STK380487
SMILES COc1cc(ccc1Oc1ccc(cc1C(F)(F)F)[N+](=O)[O-])/C=C\1/C(=NN(C1=O)c1cccc(c1)Cl)C
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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 C25H17ClF3N3O5 MW 531.88 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H17ClF3N3O5/c1-14-19(24(33)31(30-14)17-5-3-4-16(26)12-17)10-15-6-8-22(23(11-15)36-2)37-21-9-7-18(32(34)35)13-20(21)25(27,28)29/h3-13H,1-2H3/b19-10-InChIKey
MQQMOPYGMIGFPL-GRSHGNNSSA-NSynonyms
(4Z)2(3CHLOROPHENYL)4((3METHOXY4(4NITRO2(TRIFLUOROMETHYL)PHENOXY)PHENYL)METHYLIDENE)5METHYLPYRAZOL3ONE
(4Z)2(3chlorophenyl)4(3methoxy4(4nitro2(trifluoromethyl)phenoxy)benzylidene)5methyl24dihydro3Hpyrazol3one
CC1=NN(C(=O)C1=CC2=CC(=C(C=C2)OC3=C(C=C(C=C3)(N+)(=O)(O))C(F)(F)F)OC)C4=CC(=CC=C4)Cl
COc1cc(ccc1Oc1ccc(cc1C(F)(F)F)(N+)(=O)(O))C=C1C(=NN(C1=O)c1cccc(c1)Cl)C
InChI=1SC25H17ClF3N3O5c11419(24(33)31(3014)1753416(26)1217)10156822(23(1115)362)37219718(32(34)35)1320(21)25(2728)29h313H12H3b1910
MFCD02314297
ZINC000033354554
ZINC33354554
Check stock
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