Vitas-M small molecule compound
2-(4-ethoxyphenoxy)-5-(3-heptadecyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzenesulfonic acid
Catalog ID
STK367646
SMILES CCCCCCCCCCCCCCCCCC1=NN(C(=O)C1)c1ccc(c(c1)S(=O)(=O)O)Oc1ccc(cc1)OCC
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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 C34H50N2O6S MW 614.85 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H50N2O6S/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-28-26-34(37)36(35-28)29-20-25-32(33(27-29)43(38,39)40)42-31-23-21-30(22-24-31)41-4-2/h20-25,27H,3-19,26H2,1-2H3,(H,38,39,40)InChIKey
NXAUEXYFBZEKAE-UHFFFAOYSA-NSynonyms
2(4ETHOXYPHENOXY)5(3HEPTADECYL5OXO(2PYRAZOLINYL))BENZENESULFONICACID
2(4ethoxyphenoxy)5(3heptadecyl5oxo45dihydro1Hpyrazol1yl)benzenesulfonicacid
2(4ETHOXYPHENOXY)5(3HEPTADECYL5OXO4HPYRAZOL1YL)BENZENESULFONICACID
CCCCCCCCCCCCCCCCCC1=NN(C(=O)C1)C2=CC(=C(C=C2)OC3=CC=C(C=C3)OCC)S(=O)(=O)O
InChI=1SC34H50N2O6Sc135678910111213141516171819282634(37)36(3528)29202532(33(2729)43(3839)40)4231232130(222431)4142h202527H31926H212H3(H383940)
MFCD00319076
ZINC000043587302
ZINC43587302
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