Vitas-M small molecule compound
4-{(1E,3E)-3-[3-carboxylato-5-oxo-1-(4-sulfonatophenyl)-1,5-dihydro-4H-pyrazol-4-ylidene]prop-1-en-1-yl}-5-hydroxy-1-(4-sulfonatophenyl)-1H-pyrazole-3-carboxylate
Catalog ID
STL058983
SMILES [O-]C(=O)C1=NN(C(=O)/C/1=C/C=C/c1c(nn(c1O)c1ccc(cc1)S(=O)(=O)[O-])C(=O)[O-])c1ccc(cc1)S(=O)(=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 C23H12N4O12S2 MW 600.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H16N4O12S2/c28-20-16(18(22(30)31)24-26(20)12-4-8-14(9-5-12)40(34,35)36)2-1-3-17-19(23(32)33)25-27(21(17)29)13-6-10-15(11-7-13)41(37,38)39/h1-11,28H,(H,30,31)(H,32,33)(H,34,35,36)(H,37,38,39)/p-4/b2-1+,17-3+InChIKey
DUAPFKKDEHBNEJ-ZBXWISFFSA-JSynonyms
(O)C(=O)C1=NN(C(=O)C1=CC=Cc1c(nn(c1O)c1ccc(cc1)S(=O)(=O)(O))C(=O)(O))c1ccc(cc1)S(=O)(=O)(O)
(O)C(=O)C1=NN(C(=O)C1=CC=Cc1c(nn(c1O)c1ccc(cc1)S(=O)(=O)(O))C(=O)(O))c1ccc(cc1)S(=O)(=O)(O)(K+)(K+)(K+)(K+)
4((1E3E)3(3carboxylato5oxo1(4sulfonatophenyl)15dihydro4Hpyrazol4ylidene)prop1en1yl)5hydroxy1(4sulfonatophenyl)1Hpyrazole3carboxylate
potassium4((1E3E)3(3carboxylato5oxo1(4sulfonatophenyl)1Hpyrazol4(5H)ylidene)prop1en1yl)5hydroxy1(4sulfonatophenyl)1Hpyrazole3carboxylate
ZINC000060272825
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Check stock on Vitas-MAvailable files
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