Vitas-M small molecule compound

{2-methoxy-4-[(Z)-(5-oxo-1-phenyl-3-propyl-1,5-dihydro-4H-pyrazol-4-ylidene)methyl]phenoxy}acetic acid

Catalog ID
STK047887
SMILES CCCC1=NN(C(=O)/C/1=C\c1ccc(c(c1)OC)OCC(=O)O)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 C22H22N2O5 MW 394.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22N2O5/c1-3-7-18-17(22(27)24(23-18)16-8-5-4-6-9-16)12-15-10-11-19(20(13-15)28-2)29-14-21(25)26/h4-6,8-13H,3,7,14H2,1-2H3,(H,25,26)/b17-12-
InChIKey
VWDMVDVQNSTJMS-ATVHPVEESA-N
Synonyms

(2METHOXY4((Z)(5OXO1PHENYL3PROPYL15DIHYDRO4HPYRAZOL4YLIDENE)METHYL)PHENOXY)ACETICACID
2(2METHOXY4((Z)(5OXO1PHENYL3PROPYLPYRAZOL4YLIDENE)METHYL)PHENOXY)ACETICACID
CCCC1=NN(C(=O)C1=Cc1ccc(c(c1)OC)OCC(=O)O)c1ccccc1
CCCC1=NN(C(=O)C1=CC2=CC(=C(C=C2)OCC(=O)O)OC)C3=CC=CC=C3
InChI=1SC22H22N2O5c1371817(22(27)24(2318)168546916)1215101119(20(1315)282)291421(25)26h46813H3714H212H3(H2526)b1712
MFCD03555425
STK047887
ZINC000009434452
ZINC9434452

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Available files

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