Vitas-M small molecule compound
3-{(4E)-4-[4-(benzyloxy)-3-chloro-5-methoxybenzylidene]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}benzoic acid
Catalog ID
STL170987
SMILES COc1cc(/C=C/2\C(=NN(C2=O)c2cccc(c2)C(=O)O)C)cc(c1OCc1ccccc1)Cl
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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 C26H21ClN2O5 MW 476.92 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H21ClN2O5/c1-16-21(25(30)29(28-16)20-10-6-9-19(14-20)26(31)32)11-18-12-22(27)24(23(13-18)33-2)34-15-17-7-4-3-5-8-17/h3-14H,15H2,1-2H3,(H,31,32)/b21-11+InChIKey
AUNIZANZUUDFRO-SRZZPIQSSA-NSynonyms
354546-78-43((4E)4((3CHLORO5METHOXY4PHENYLMETHOXYPHENYL)METHYLIDENE)3METHYL5OXOPYRAZOL1YL)BENZOICACID
3((4E)4(4(benzyloxy)3chloro5methoxybenzylidene)3methyl5oxo45dihydro1Hpyrazol1yl)benzoicacid
354546784
CC1=NN(C(=O)C1=CC2=CC(=C(C(=C2)Cl)OCC3=CC=CC=C3)OC)C4=CC=CC(=C4)C(=O)O
COc1cc(C=C2C(=NN(C2=O)c2cccc(c2)C(=O)O)C)cc(c1OCc1ccccc1)Cl
InChI=1SC26H21ClN2O5c11621(25(30)29(2816)20106919(1420)26(31)32)11181222(27)24(23(1318)332)3415177435817h314H15H212H3(H3132)b2111+
MFCD01648232
ZINC000003864330
ZINC3864330
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