Vitas-M small molecule compound
4-[(4Z)-4-{[5-(4-chlorophenyl)furan-2-yl]methylidene}-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]benzenesulfonic acid
Catalog ID
STL495719
SMILES Clc1ccc(cc1)c1ccc(o1)/C=C\1/C(=NN(C1=O)c1ccc(cc1)S(=O)(=O)O)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 C21H15ClN2O5S MW 442.88 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H15ClN2O5S/c1-13-19(12-17-8-11-20(29-17)14-2-4-15(22)5-3-14)21(25)24(23-13)16-6-9-18(10-7-16)30(26,27)28/h2-12H,1H3,(H,26,27,28)/b19-12-InChIKey
OFOAZLPGPXARLO-UNOMPAQXSA-NSynonyms
4((4Z)4((5(4chlorophenyl)furan2yl)methylidene)3methyl5oxo45dihydro1Hpyrazol1yl)benzenesulfonicacid
4((4Z)4((5(4CHLOROPHENYL)FURAN2YL)METHYLIDENE)3METHYL5OXOPYRAZOL1YL)BENZENESULFONICACID
CC1=NN(C(=O)C1=CC2=CC=C(O2)C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)S(=O)(=O)O
Clc1ccc(cc1)c1ccc(o1)C=C1C(=NN(C1=O)c1ccc(cc1)S(=O)(=O)O)C
InChI=1SC21H15ClN2O5Sc11319(121781120(2917)142415(22)5314)21(25)24(2313)166918(10716)30(2627)28h212H1H3(H262728)b1912
MFCD05041930
ZINC000033604359
ZINC33604359
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