Vitas-M small molecule compound
2-[3-(octadecanoylamino)-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]-5-phenoxybenzenesulfonic acid
Catalog ID
STL412480
SMILES CCCCCCCCCCCCCCCCCC(=O)NC1=NN(C(=O)C1)c1ccc(cc1S(=O)(=O)O)Oc1ccccc1
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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 C33H47N3O6S MW 613.82 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H47N3O6S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-32(37)34-31-26-33(38)36(35-31)29-24-23-28(25-30(29)43(39,40)41)42-27-20-17-16-18-21-27/h16-18,20-21,23-25H,2-15,19,22,26H2,1H3,(H,34,35,37)(H,39,40,41)InChIKey
BJVDVHHCUBDLGX-UHFFFAOYSA-NSynonyms
2(3(octadecanoylamino)5oxo45dihydro1Hpyrazol1yl)5phenoxybenzenesulfonicacid
2(3(OCTADECANOYLAMINO)5OXO4HPYRAZOL1YL)5PHENOXYBENZENESULFONICACID
2(5oxo3stearamido45dihydro1Hpyrazol1yl)5phenoxybenzenesulfonicacid
CCCCCCCCCCCCCCCCCC(=O)NC1=NN(C(=O)C1)C2=C(C=C(C=C2)OC3=CC=CC=C3)S(=O)(=O)O
InChI=1SC33H47N3O6Sc123456789101112131415192232(37)34312633(38)36(3531)29242328(2530(29)43(3940)41)4227201716182127h161820212325H215192226H21H3(H343537)(H394041)
MFCD00602449
ZINC000103001435
ZINC103001435
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