Vitas-M small molecule compound
(4Z)-4-{3-methoxy-4-[(3-nitrobenzyl)oxy]benzylidene}-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STK160923
SMILES COc1cc(ccc1OCc1cccc(c1)[N+](=O)[O-])/C=C\1/C(=NN(C1=O)c1ccccc1)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 C25H21N3O5 MW 443.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H21N3O5/c1-17-22(25(29)27(26-17)20-8-4-3-5-9-20)14-18-11-12-23(24(15-18)32-2)33-16-19-7-6-10-21(13-19)28(30)31/h3-15H,16H2,1-2H3/b22-14-InChIKey
ACHYPZGUAGKUGJ-HMAPJEAMSA-NSynonyms
(4Z)4((3METHOXY4((3NITROPHENYL)METHOXY)PHENYL)METHYLIDENE)5METHYL2PHENYLPYRAZOL3ONE
(4Z)4(3METHOXY4((3NITROBENZYL)OXY)BENZYLIDENE)5METHYL2PHENYL24DIHYDRO3HPYRAZOL3ONE
4((3METHOXY4((3NITROPHENYL)METHOXY)PHENYL)METHYLENE)3METHYL1PHENYL12DIAZOLIN5ONE
CC1=NN(C(=O)C1=CC2=CC(=C(C=C2)OCC3=CC(=CC=C3)(N+)(=O)(O))OC)C4=CC=CC=C4
COc1cc(ccc1OCc1cccc(c1)(N+)(=O)(O))C=C1C(=NN(C1=O)c1ccccc1)C
InChI=1SC25H21N3O5c11722(25(29)27(2617)208435920)1418111223(24(1518)322)331619761021(1319)28(30)31h315H16H212H3b2214
MFCD03835238
ZINC000009310789
ZINC09310789
ZINC9310789
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