Vitas-M small molecule compound
2-chloro-5-[(4Z)-4-(3-methoxy-4-propoxybenzylidene)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]benzoic acid
Catalog ID
STL431767
SMILES CCCOc1ccc(cc1OC)/C=C\1/C(=NN(C1=O)c1ccc(c(c1)C(=O)O)Cl)C
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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 C22H21ClN2O5 MW 428.87 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21ClN2O5/c1-4-9-30-19-8-5-14(11-20(19)29-3)10-16-13(2)24-25(21(16)26)15-6-7-18(23)17(12-15)22(27)28/h5-8,10-12H,4,9H2,1-3H3,(H,27,28)/b16-10-InChIKey
HWUCBDWFJQRGJH-YBEGLDIGSA-NSynonyms
2chloro5((4Z)4((3methoxy4propoxyphenyl)methylidene)3methyl5oxopyrazol1yl)benzoicacid
2chloro5((4Z)4(3methoxy4propoxybenzylidene)3methyl5oxo45dihydro1Hpyrazol1yl)benzoicacid
CCCOC1=C(C=C(C=C1)C=C2C(=NN(C2=O)C3=CC(=C(C=C3)Cl)C(=O)O)C)OC
CCCOc1ccc(cc1OC)C=C1C(=NN(C1=O)c1ccc(c(c1)C(=O)O)Cl)C
InChI=1SC22H21ClN2O5c14930198514(1120(19)293)101613(2)2425(21(16)26)156718(23)17(1215)22(27)28h581012H49H213H3(H2728)b1610
MFCD01158556
ZINC000020076428
ZINC20076428
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