Vitas-M small molecule compound
2-chloro-4-{5-[(E)-(3-methyl-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene)methyl]furan-2-yl}benzoic acid
Catalog ID
STL363658
SMILES CC1=NN(C(=O)/C/1=C/c1ccc(o1)c1ccc(c(c1)Cl)C(=O)O)c1ccccc1
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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 C22H15ClN2O4 MW 406.82 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H15ClN2O4/c1-13-18(21(26)25(24-13)15-5-3-2-4-6-15)12-16-8-10-20(29-16)14-7-9-17(22(27)28)19(23)11-14/h2-12H,1H3,(H,27,28)/b18-12+InChIKey
JERIWRPQOYWGRY-LDADJPATSA-NSynonyms
(E)2chloro4(5((3methyl5oxo1phenyl1Hpyrazol4(5H)ylidene)methyl)furan2yl)benzoicacid
2chloro4(5((E)(3methyl5oxo1phenyl15dihydro4Hpyrazol4ylidene)methyl)furan2yl)benzoicacid
2CHLORO4(5((E)(3METHYL5OXO1PHENYLPYRAZOL4YLIDENE)METHYL)FURAN2YL)BENZOICACID
CC1=NN(C(=O)C1=Cc1ccc(o1)c1ccc(c(c1)Cl)C(=O)O)c1ccccc1
CC1=NN(C(=O)C1=CC2=CC=C(O2)C3=CC(=C(C=C3)C(=O)O)Cl)C4=CC=CC=C4
InChI=1SC22H15ClN2O4c11318(21(26)25(2413)155324615)121681020(2916)147917(22(27)28)19(23)1114h212H1H3(H2728)b1812+
MFCD02623888
ZINC000100791374
ZINC100791374
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