Vitas-M small molecule compound
(2E)-4-({3-(ethoxycarbonyl)-5-methyl-4-[4-(2-methylpropyl)phenyl]thiophen-2-yl}amino)-4-oxobut-2-enoic acid
Catalog ID
STK423513
SMILES CCOC(=O)c1c(NC(=O)/C=C/C(=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 C22H25NO5S MW 415.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H25NO5S/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/h6-11,13H,5,12H2,1-4H3,(H,23,24)(H,25,26)/b11-10+InChIKey
KMDCATFIOSAYIU-ZHACJKMWSA-NSynonyms
(2E)3(N(3(ETHOXYCARBONYL)5METHYL4(4(2METHYLPROPYL)PHENYL)(2THIENYL))CARBAMOYL)PROP2ENOICACID
(2E)4((3(ethoxycarbonyl)5methyl4(4(2methylpropyl)phenyl)thiophen2yl)amino)4oxobut2enoicacid
(E)4((3ETHOXYCARBONYL5METHYL4(4(2METHYLPROPYL)PHENYL)THIOPHEN2YL)AMINO)4OXOBUT2ENOICACID
CCOC(=O)C1=C(SC(=C1C2=CC=C(C=C2)CC(C)C)C)NC(=O)C=CC(=O)O
CCOC(=O)c1c(NC(=O)C=CC(=O)O)sc(c1c1ccc(cc1)CC(C)C)C
InChI=1SC22H25NO5Sc152822(27)2019(168615(7916)1213(2)3)14(4)2921(20)2317(24)101118(25)26h61113H512H214H3(H2324)(H2526)b1110+
MFCD02176205
ZINC000002758924
ZINC2758924
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