Vitas-M small molecule compound
(2E)-4-({4-[4-(butan-2-yl)phenyl]-3-cyano-5-methylthiophen-2-yl}amino)-4-oxobut-2-enoic acid
Catalog ID
STK428943
SMILES CCC(c1ccc(cc1)c1c(C)sc(c1C#N)NC(=O)/C=C/C(=O)O)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 C20H20N2O3S MW 368.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H20N2O3S/c1-4-12(2)14-5-7-15(8-6-14)19-13(3)26-20(16(19)11-21)22-17(23)9-10-18(24)25/h5-10,12H,4H2,1-3H3,(H,22,23)(H,24,25)/b10-9+InChIKey
RWEGWIMSGRLMHG-MDZDMXLPSA-NSynonyms
(2E)3(N(3CYANO5METHYL4(4(METHYLPROPYL)PHENYL)(2THIENYL))CARBAMOYL)PROP2ENOICACID
(2E)4((4(4(butan2yl)phenyl)3cyano5methylthiophen2yl)amino)4oxobut2enoicacid
(E)4((4(4BUTAN2YLPHENYL)3CYANO5METHYLTHIOPHEN2YL)AMINO)4OXOBUT2ENOICACID
CCC(C)C1=CC=C(C=C1)C2=C(SC(=C2C#N)NC(=O)C=CC(=O)O)C
CCC(c1ccc(cc1)c1c(C)sc(c1C#N)NC(=O)C=CC(=O)O)C
InChI=1SC20H20N2O3Sc1412(2)145715(8614)1913(3)2620(16(19)1121)2217(23)91018(24)25h51012H4H213H3(H2223)(H2425)b109+
MFCD02853285
ZINC000002773539
ZINC000002773541
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