Vitas-M small molecule compound
3-[(4Z)-4-(5-bromo-2-propoxybenzylidene)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]benzoic acid
Catalog ID
STL174111
SMILES CCCOc1ccc(cc1/C=C\1/C(=NN(C1=O)c1cccc(c1)C(=O)O)C)Br
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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 C21H19BrN2O4 MW 443.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19BrN2O4/c1-3-9-28-19-8-7-16(22)10-15(19)12-18-13(2)23-24(20(18)25)17-6-4-5-14(11-17)21(26)27/h4-8,10-12H,3,9H2,1-2H3,(H,26,27)/b18-12-InChIKey
AZZUYYBTTMFOIJ-PDGQHHTCSA-NSynonyms
445285-89-23((4Z)4((5bromo2propoxyphenyl)methylidene)3methyl5oxopyrazol1yl)benzoicacid
3((4Z)4(5bromo2propoxybenzylidene)3methyl5oxo45dihydro1Hpyrazol1yl)benzoicacid
3(4(5BROMO2PROPOXYBENZYLIDENE)3METHYL5OXO45DIHYDRO1HPYRAZOL1YL)BENZOICACID
445285892
CCCOC1=C(C=C(C=C1)Br)C=C2C(=NN(C2=O)C3=CC=CC(=C3)C(=O)O)C
CCCOc1ccc(cc1C=C1C(=NN(C1=O)c1cccc(c1)C(=O)O)C)Br
InChI=1SC21H19BrN2O4c13928198716(22)1015(19)121813(2)2324(20(18)25)1764514(1117)21(26)27h481012H39H212H3(H2627)b1812
MFCD02371795
ZINC000008444224
ZINC8444224
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