Vitas-M small molecule compound
3-{(4Z)-3-methyl-5-oxo-4-[(2E)-3-phenylprop-2-en-1-ylidene]-4,5-dihydro-1H-pyrazol-1-yl}benzoic acid
Catalog ID
STL432521
SMILES CC1=NN(C(=O)/C/1=C\C=C\c1ccccc1)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 C20H16N2O3 MW 332.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H16N2O3/c1-14-18(12-5-9-15-7-3-2-4-8-15)19(23)22(21-14)17-11-6-10-16(13-17)20(24)25/h2-13H,1H3,(H,24,25)/b9-5+,18-12-InChIKey
UULJYRGUMUVTHQ-BIMFAPAISA-NSynonyms
3((4Z)3methyl5oxo4((2E)3phenylprop2en1ylidene)45dihydro1Hpyrazol1yl)benzoicacid
3((4Z)3methyl5oxo4((E)3phenylprop2enylidene)pyrazol1yl)benzoicacid
CC1=NN(C(=O)C1=CC=Cc1ccccc1)c1cccc(c1)C(=O)O
CC1=NN(C(=O)C1=CC=CC2=CC=CC=C2)C3=CC=CC(=C3)C(=O)O
InChI=1SC20H16N2O3c11418(1259157324815)19(23)22(2114)171161016(1317)20(24)25h213H1H3(H2425)b95+1812
MFCD05129702
ZINC000008573253
ZINC8573253
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