Vitas-M small molecule compound
(2E)-4-{[4-(4-tert-butylphenyl)-3-(ethoxycarbonyl)-5-methylthiophen-2-yl]amino}-4-oxobut-2-enoic acid
Catalog ID
STK432622
SMILES CCOC(=O)c1c(NC(=O)/C=C/C(=O)O)sc(c1c1ccc(cc1)C(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 C22H25NO5S MW 415.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H25NO5S/c1-6-28-21(27)19-18(14-7-9-15(10-8-14)22(3,4)5)13(2)29-20(19)23-16(24)11-12-17(25)26/h7-12H,6H2,1-5H3,(H,23,24)(H,25,26)/b12-11+InChIKey
KKTFFPJFLJNMLG-VAWYXSNFSA-NSynonyms
(2E)3(N(4(4(TERTBUTYL)PHENYL)3(ETHOXYCARBONYL)5METHYL(2THIENYL))CARBAMOYL)PROP2ENOICACID
(2E)4((4(4tertbutylphenyl)3(ethoxycarbonyl)5methylthiophen2yl)amino)4oxobut2enoicacid
(E)4((4(4TERTBUTYLPHENYL)3CARBETHOXY5METHYL2THIENYL)AMINO)4KETOBUT2ENOICACID
(E)4((4(4TERTBUTYLPHENYL)3ETHOXYCARBONYL5METHYL2THIOPHENYL)AMINO)4OXO2BUTENOICACID
(E)4((4(4TERTBUTYLPHENYL)3ETHOXYCARBONYL5METHYLTHIOPHEN2YL)AMINO)4OXIDANYLIDENEBUT2ENOICACID
(E)4((4(4TERTBUTYLPHENYL)3ETHOXYCARBONYL5METHYLTHIOPHEN2YL)AMINO)4OXOBUT2ENOICACID
4((4(4TERTBUTYLPHENYL)3(ETHOXYCARBONYL)5METHYL2THIENYL)AMINO)4OXO2BUTENOICACID
CCOC(=O)C1=C(SC(=C1C2=CC=C(C=C2)C(C)(C)C)C)NC(=O)C=CC(=O)O
CCOC(=O)c1c(NC(=O)C=CC(=O)O)sc(c1c1ccc(cc1)C(C)(C)C)C
InChI=1SC22H25NO5Sc162821(27)1918(147915(10814)22(34)5)13(2)2920(19)2316(24)111217(25)26h712H6H215H3(H2324)(H2526)b1211+
MFCD02175957
ZINC000002758376
ZINC2758376
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