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

Catalog ID
STK527799
SMILES CCC(c1cc(ccc1OCCCC(=O)Nc1ccc(cc1)N1N=C(C(C1=O)S1=NN=NN1c1ccccc1)N1CCCC1)C(CC)(C)C)(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 C39H50N8O3S MW 710.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C39H50N8O3S/c1-7-38(3,4)28-18-23-33(32(27-28)39(5,6)8-2)50-26-14-17-34(48)40-29-19-21-30(22-20-29)46-37(49)35(36(41-46)45-24-12-13-25-45)51-44-42-43-47(51)31-15-10-9-11-16-31/h9-11,15-16,18-23,27,35H,7-8,12-14,17,24-26H2,1-6H3,(H,40,48)
InChIKey
JDXYEFSDSSLJAF-UHFFFAOYSA-N
Synonyms

4(24BIS(2METHYLBUTAN2YL)PHENOXY)N(4(5OXO4(2PHENYL1
4(24bis(2methylbutan2yl)phenoxy)N(4(5oxo4(2phenyl1$l^(4)thia2345tetrazacyclopenta35dien1yl)3pyrrolidin1yl4Hpyrazol1yl)phenyl)butanamide
4(24bis(2methylbutan2yl)phenoxy)N(4(5oxo4(2phenyl2H1$l^(4)2345thiatetrazol1yl)3(pyrrolidin1yl)45dihydro1Hpyrazol1yl)phenyl)butanamide
4(24bis(2methylbutan2yl)phenoxy)N(4(5oxo4(2phenyl2H1lambda~4~2345thiatetrazol1yl)3(pyrrolidin1yl)45dihydro1Hpyrazol1yl)phenyl)butanamide
CCC(C)(C)C1=CC(=C(C=C1)OCCCC(=O)NC2=CC=C(C=C2)N3C(=O)C(C(=N3)N4CCCC4)S5=NN=NN5C6=CC=CC=C6)C(C)(C)CC
InChI=1SC39H50N8O3Sc1738(34)28182333(32(2728)39(56)82)5026141734(48)4029192130(222029)4637(49)35(36(4146)452412132545)5144424347(51)3115109111631h911151618232735H781214172426H216H3(H4048)
MFCD00571106
ZINC000150407680
ZINC000150407685

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Available files

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