Vitas-M small molecule compound

4-[2,4-bis(2-methylbutan-2-yl)phenoxy]-N-{3-hydroxy-4-[(methylsulfonyl)amino]phenyl}butanamide

Catalog ID
STK044915
SMILES CCC(c1cc(ccc1OCCCC(=O)Nc1ccc(c(c1)O)NS(=O)(=O)C)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 C27H40N2O5S MW 504.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H40N2O5S/c1-8-26(3,4)19-12-15-24(21(17-19)27(5,6)9-2)34-16-10-11-25(31)28-20-13-14-22(23(30)18-20)29-35(7,32)33/h12-15,17-18,29-30H,8-11,16H2,1-7H3,(H,28,31)
InChIKey
STYVWTNHDLJSOU-UHFFFAOYSA-N
Synonyms

4(24BIS(11DIMETHYLPROPYL)PHENOXY)N(3HYDROXY4((METHYLSULFONYL)AMINO)PHENYL)BUTANAMIDE
4(24BIS(2METHYLBUTAN2YL)PHENOXY)N(3HYDROXY4((METHYLSULFONYL)AMINO)PHENYL)BUTANAMIDE
4(24BIS(2METHYLBUTAN2YL)PHENOXY)N(3HYDROXY4(METHANESULFONAMIDO)PHENYL)BUTANAMIDE
CCC(C)(C)C1=CC(=C(C=C1)OCCCC(=O)NC2=CC(=C(C=C2)NS(=O)(=O)C)O)C(C)(C)CC
CCC(c1cc(ccc1OCCCC(=O)Nc1ccc(c(c1)O)NS(=O)(=O)C)C(CC)(C)C)(C)C
InChI=1SC27H40N2O5Sc1826(34)19121524(21(1719)27(56)92)3416101125(31)2820131422(23(30)1820)2935(732)33h121517182930H81116H217H3(H2831)
MFCD00327290
STK044915
ZINC000003991722
ZINC03991722
ZINC3991722

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Available files

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