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Vitas-M small molecule compound

5-[3-(octadecanoylamino)-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]-2-phenoxybenzenesulfonic acid

Catalog ID
STK088821
SMILES CCCCCCCCCCCCCCCCCC(=O)NC1=NN(C(=O)C1)c1ccc(c(c1)S(=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)27-23-24-29(30(25-27)43(39,40)41)42-28-20-17-16-18-21-28/h16-18,20-21,23-25H,2-15,19,22,26H2,1H3,(H,34,35,37)(H,39,40,41)
InChIKey
UYEZDWWGFYJUOF-UHFFFAOYSA-N
Synonyms
25985-53-9
25985539
5((45DIHYDRO5OXO3((1OXOOCTADECYL)AMINO)1HPYRAZOL)1YL)2PHENOXYBENZENESULFONICACID
5(3(OCTADECANOYLAMINO)5OXO(2PYRAZOLINYL))2PHENOXYBENZENESULFONICACID
5(3(OCTADECANOYLAMINO)5OXO45DIHYDRO1HPYRAZOL1YL)2PHENOXYBENZENESULFONICACID
5(3(OCTADECANOYLAMINO)5OXO4HPYRAZOL1YL)2PHENOXYBENZENESULFONICACID
5(3OCTADECANAMIDO5OXO4HPYRAZOL1YL)2PHENOXYBENZENESULFONICACID
5(45DIHYDRO5OXO3((1OXOOCTADECYL)AMINO)1HPYRAZOL1YL)2PHENOXYBENZENESULFONICACID
5(45DIHYDRO5OXO3((1OXOOCTADECYL)AMINO)1HPYRAZOL1YL)2PHENOXYBENZENESULPHONICACID
CCCCCCCCCCCCCCCCCC(=O)NC1=NN(C(=O)C1)c1ccc(c(c1)S(=O)(=O)O)Oc1ccccc1
CCCCCCCCCCCCCCCCCC(=O)NC1=NN(C(=O)C1)C2=CC(=C(C=C2)OC3=CC=CC=C3)S(=O)(=O)O
InChI=1SC33H47N3O6Sc123456789101112131415192232(37)34312633(38)36(3531)27232429(30(2527)43(3940)41)4228201716182128h161820212325H215192226H21H3(H343537)(H394041)
MFCD00142539
STK088821
ZINC000095603849
ZINC95603849

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Available files

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