Vitas-M small molecule compound

3-[(4Z)-4-{3-chloro-5-ethoxy-4-[(1-methoxy-1-oxopropan-2-yl)oxy]benzylidene}-5-oxo-3-propyl-4,5-dihydro-1H-pyrazol-1-yl]benzoic acid

Catalog ID
STK399969
SMILES CCCC1=NN(C(=O)/C/1=C\c1cc(Cl)c(c(c1)OCC)OC(C(=O)OC)C)c1cccc(c1)C(=O)O

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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 C26H27ClN2O7 MW 514.96 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H27ClN2O7/c1-5-8-21-19(24(30)29(28-21)18-10-7-9-17(14-18)25(31)32)11-16-12-20(27)23(22(13-16)35-6-2)36-15(3)26(33)34-4/h7,9-15H,5-6,8H2,1-4H3,(H,31,32)/b19-11-
InChIKey
UILRHLJAIOHFTQ-ODLFYWEKSA-N
Synonyms
879178-82-2
3((4Z)4((3chloro5ethoxy4(1methoxy1oxopropan2yl)oxyphenyl)methylidene)5oxo3propylpyrazol1yl)benzoicacid
3((4Z)4(3chloro5ethoxy4((1methoxy1oxopropan2yl)oxy)benzylidene)5oxo3propyl45dihydro1Hpyrazol1yl)benzoicacid
879178822
CCCC1=NN(C(=O)C1=Cc1cc(Cl)c(c(c1)OCC)OC(C(=O)OC)C)c1cccc(c1)C(=O)O
CCCC1=NN(C(=O)C1=CC2=CC(=C(C(=C2)Cl)OC(C)C(=O)OC)OCC)C3=CC=CC(=C3)C(=O)O
InChI=1SC26H27ClN2O7c1582119(24(30)29(2821)18107917(1418)25(31)32)11161220(27)23(22(1316)3562)3615(3)26(33)344h7915H568H214H3(H3132)b1911
MFCD07434161
ZINC000013914216
ZINC000013914218

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Available files

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