Vitas-M small molecule compound

(4Z)-4-[(3-{4-[(2-fluorobenzyl)oxy]phenyl}-1-phenyl-1H-pyrazol-4-yl)methylidene]-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one

Catalog ID
STK798296
SMILES CC1=NN(C(=O)/C/1=C\c1cn(nc1c1ccc(cc1)OCc1ccccc1F)c1ccccc1)c1ccccc1

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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 C33H25FN4O2 MW 528.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H25FN4O2/c1-23-30(33(39)38(35-23)28-13-6-3-7-14-28)20-26-21-37(27-11-4-2-5-12-27)36-32(26)24-16-18-29(19-17-24)40-22-25-10-8-9-15-31(25)34/h2-21H,22H2,1H3/b30-20-
InChIKey
FORAURLCQLKZII-COEJQBHMSA-N
Synonyms

(4Z)4((3(4((2fluorobenzyl)oxy)phenyl)1phenyl1Hpyrazol4yl)methylidene)5methyl2phenyl24dihydro3Hpyrazol3one
(4Z)4((3(4((2FLUOROPHENYL)METHOXY)PHENYL)1PHENYLPYRAZOL4YL)METHYLIDENE)5METHYL2PHENYLPYRAZOL3ONE
CC1=NN(C(=O)C1=Cc1cn(nc1c1ccc(cc1)OCc1ccccc1F)c1ccccc1)c1ccccc1
CC1=NN(C(=O)C1=CC2=CN(N=C2C3=CC=C(C=C3)OCC4=CC=CC=C4F)C5=CC=CC=C5)C6=CC=CC=C6
InChI=1SC33H25FN4O2c12330(33(39)38(3523)28136371428)20262137(27114251227)3632(26)24161829(191724)40222510891531(25)34h221H22H21H3b3020
MFCD03461928
ZINC000097946162
ZINC97946162

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Available files

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