Vitas-M small molecule compound

4-({3-(ethoxycarbonyl)-5-methyl-4-[4-(2-methylpropyl)phenyl]thiophen-2-yl}amino)-4-oxobutanoic acid

Catalog ID
STK423376
SMILES CCOC(=O)c1c(NC(=O)CCC(=O)O)sc(c1c1ccc(cc1)CC(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 C22H27NO5S MW 417.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H27NO5S/c1-5-28-22(27)20-19(16-8-6-15(7-9-16)12-13(2)3)14(4)29-21(20)23-17(24)10-11-18(25)26/h6-9,13H,5,10-12H2,1-4H3,(H,23,24)(H,25,26)
InChIKey
YCVIMOYJRGZZTK-UHFFFAOYSA-N
Synonyms

3(N(3(ETHOXYCARBONYL)5METHYL4(4(2METHYLPROPYL)PHENYL)2THIENYL)CARBAMOYL)PROPANOICACID
4((3(ethoxycarbonyl)5methyl4(4(2methylpropyl)phenyl)thiophen2yl)amino)4oxobutanoicacid
4((3ETHOXYCARBONYL5METHYL4(4(2METHYLPROPYL)PHENYL)THIOPHEN2YL)AMINO)4OXOBUTANOICACID
CCOC(=O)C1=C(SC(=C1C2=CC=C(C=C2)CC(C)C)C)NC(=O)CCC(=O)O
InChI=1SC22H27NO5Sc152822(27)2019(168615(7916)1213(2)3)14(4)2921(20)2317(24)101118(25)26h6913H51012H214H3(H2324)(H2526)
MFCD02176030
ZINC000003864298
ZINC3864298

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Available files

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