Vitas-M small molecule compound

2-[2,4-bis(2-methylbutan-2-yl)phenoxy]-N-(3-{[5-oxo-1-phenyl-4-(phenylsulfanyl)-4,5-dihydro-1H-pyrazol-3-yl]amino}phenyl)butanamide

Catalog ID
STK372003
SMILES CCC(C(=O)Nc1cccc(c1)NC1=NN(C(=O)C1Sc1ccccc1)c1ccccc1)Oc1ccc(cc1C(CC)(C)C)C(CC)(C)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 C41H48N4O3S MW 676.92 g/mol Purity >90% as per NMR
InChI
InChI=1S/C41H48N4O3S/c1-8-34(48-35-25-24-28(40(4,5)9-2)26-33(35)41(6,7)10-3)38(46)43-30-19-17-18-29(27-30)42-37-36(49-32-22-15-12-16-23-32)39(47)45(44-37)31-20-13-11-14-21-31/h11-27,34,36H,8-10H2,1-7H3,(H,42,44)(H,43,46)
InChIKey
GKMKRMLAUVZORF-UHFFFAOYSA-N
Synonyms

2(24BIS(11DIMETHYLPROPYL)PHENOXY)N(3((5OXO1PHENYL4PHENYLTHIO(2PYRAZOLIN3YL))AMINO)PHENYL)BUTANAMIDE
2(24bis(2methylbutan2yl)phenoxy)N(3((5oxo1phenyl4(phenylsulfanyl)45dihydro1Hpyrazol3yl)amino)phenyl)butanamide
2(24BIS(2METHYLBUTAN2YL)PHENOXY)N(3((5OXO1PHENYL4PHENYLSULFANYL4HPYRAZOL3YL)AMINO)PHENYL)BUTANAMIDE
CCC(C(=O)NC1=CC=CC(=C1)NC2=NN(C(=O)C2SC3=CC=CC=C3)C4=CC=CC=C4)OC5=C(C=C(C=C5)C(C)(C)CC)C(C)(C)CC
InChI=1SC41H48N4O3Sc1834(4835252428(40(45)92)2633(35)41(67)103)38(46)433019171829(2730)423736(4932221512162332)39(47)45(4437)31201311142131h11273436H810H217H3(H4244)(H4346)
MFCD00769348
ZINC000004043661
ZINC000150392585

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.