Vitas-M small molecule compound

(4Z)-4-({3-[2-methyl-4-(prop-2-en-1-yloxy)phenyl]-1-phenyl-1H-pyrazol-4-yl}methylidene)-2,5-diphenyl-2,4-dihydro-3H-pyrazol-3-one

Catalog ID
STK811553
SMILES C=CCOc1ccc(c(c1)C)c1nn(cc1/C=C\1/C(=NN(C1=O)c1ccccc1)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 C35H28N4O2 MW 536.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H28N4O2/c1-3-21-41-30-19-20-31(25(2)22-30)34-27(24-38(36-34)28-15-9-5-10-16-28)23-32-33(26-13-7-4-8-14-26)37-39(35(32)40)29-17-11-6-12-18-29/h3-20,22-24H,1,21H2,2H3/b32-23-
InChIKey
XFKYZISQTVSWCZ-SJIPCVTESA-N
Synonyms

(4Z)4((3(2methyl4(prop2en1yloxy)phenyl)1phenyl1Hpyrazol4yl)methylidene)25diphenyl24dihydro3Hpyrazol3one
(4Z)4((3(2METHYL4PROP2ENOXYPHENYL)1PHENYLPYRAZOL4YL)METHYLIDENE)25DIPHENYLPYRAZOL3ONE
C=CCOc1ccc(c(c1)C)c1nn(cc1C=C1C(=NN(C1=O)c1ccccc1)c1ccccc1)c1ccccc1
CC1=C(C=CC(=C1)OCC=C)C2=NN(C=C2C=C3C(=NN(C3=O)C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=CC=C6
InChI=1SC35H28N4O2c13214130192031(25(2)2230)3427(2438(3634)281595101628)233233(26137481426)3739(35(32)40)2917116121829h3202224H121H22H3b3223
MFCD06264896
ZINC000097946455
ZINC97946455

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Available files

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