Vitas-M small molecule compound
(4E)-4-{3-chloro-5-methoxy-4-[(4-nitrobenzyl)oxy]benzylidene}-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STK160398
SMILES COc1cc(/C=C/2\C(=NN(C2=O)c2ccccc2)C)cc(c1OCc1ccc(cc1)[N+](=O)[O-])Cl
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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 C25H20ClN3O5 MW 477.90 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H20ClN3O5/c1-16-21(25(30)28(27-16)19-6-4-3-5-7-19)12-18-13-22(26)24(23(14-18)33-2)34-15-17-8-10-20(11-9-17)29(31)32/h3-14H,15H2,1-2H3/b21-12+InChIKey
RGHWUJHIYWJOCZ-CIAFOILYSA-NSynonyms
(4E)4((3CHLORO5METHOXY4((4NITROPHENYL)METHOXY)PHENYL)METHYLIDENE)5METHYL2PHENYLPYRAZOL3ONE
(4E)4(3CHLORO5METHOXY4((4NITROBENZYL)OXY)BENZYLIDENE)5METHYL2PHENYL24DIHYDRO3HPYRAZOL3ONE
CC1=NN(C(=O)C1=CC2=CC(=C(C(=C2)Cl)OCC3=CC=C(C=C3)(N+)(=O)(O))OC)C4=CC=CC=C4
COc1cc(C=C2C(=NN(C2=O)c2ccccc2)C)cc(c1OCc1ccc(cc1)(N+)(=O)(O))Cl
InChI=1SC25H20ClN3O5c11621(25(30)28(2716)196435719)12181322(26)24(23(1418)332)34151781020(11917)29(31)32h314H15H212H3b2112+
MFCD04474974
ZINC000100233064
ZINC100233064
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