Vitas-M small molecule compound

(4-{(Z)-[2-(2-ethyl-4,4-dimethylazepan-1-yl)-4-oxo-1,3-thiazol-5(4H)-ylidene]methyl}phenoxy)acetic acid

Catalog ID
STK214130
SMILES CCC1CC(C)(C)CCCN1C1=NC(=O)/C(=C/c2ccc(cc2)OCC(=O)O)/S1

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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 C22H28N2O4S MW 416.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H28N2O4S/c1-4-16-13-22(2,3)10-5-11-24(16)21-23-20(27)18(29-21)12-15-6-8-17(9-7-15)28-14-19(25)26/h6-9,12,16H,4-5,10-11,13-14H2,1-3H3,(H,25,26)/b18-12-
InChIKey
OLUTYAYFWZMFIM-PDGQHHTCSA-N
Synonyms
866814-36-0
(4((Z)(2(2ETHYL44DIMETHYLAZEPAN1YL)4OXO13THIAZOL5(4H)YLIDENE)METHYL)PHENOXY)ACETICACID
2(4((Z)(2(2ethyl44dimethylazepan1yl)4oxo13thiazol5ylidene)methyl)phenoxy)aceticacid
866814360
CCC1CC(C)(C)CCCN1C1=NC(=O)C(=Cc2ccc(cc2)OCC(=O)O)S1
CCC1CC(CCCN1C2=NC(=O)C(=CC3=CC=C(C=C3)OCC(=O)O)S2)(C)C
InChI=1SC22H28N2O4Sc14161322(23)1051124(16)212320(27)18(2921)12156817(9715)281419(25)26h691216H4510111314H213H3(H2526)b1812
MFCD06197436
ZINC000004784159
ZINC000004784161

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Available files

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