Vitas-M small molecule compound
methyl 2-{[(2E)-3-(3-bromo-4-methoxyphenyl)-2-cyanoprop-2-enoyl]amino}-4,5-dimethylthiophene-3-carboxylate
Catalog ID
STK949539
SMILES N#C/C(=C\c1ccc(c(c1)Br)OC)/C(=O)Nc1sc(c(c1C(=O)OC)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 C19H17BrN2O4S MW 449.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H17BrN2O4S/c1-10-11(2)27-18(16(10)19(24)26-4)22-17(23)13(9-21)7-12-5-6-15(25-3)14(20)8-12/h5-8H,1-4H3,(H,22,23)/b13-7+InChIKey
SIVMXUQGWQYLLX-NTUHNPAUSA-NSynonyms
CC1=C(SC(=C1C(=O)OC)NC(=O)C(=CC2=CC(=C(C=C2)OC)Br)C#N)C
InChI=1SC19H17BrN2O4Sc11011(2)2718(16(10)19(24)264)2217(23)13(921)7125615(253)14(20)812h58H14H3(H2223)b137+
methyl2(((2E)3(3bromo4methoxyphenyl)2cyanoprop2enoyl)amino)45dimethylthiophene3carboxylate
METHYL2(((E)3(3BROMO4METHOXYPHENYL)2CYANOPROP2ENOYL)AMINO)45DIMETHYLTHIOPHENE3CARBOXYLATE
METHYL2((2E)3(3BROMO4METHOXYPHENYL)2CYANOPROP2ENOYLAMINO)45DIMETHYLTHIOPHENE3CARBOXYLATE
MFCD02957285
N#CC(=Cc1ccc(c(c1)Br)OC)C(=O)Nc1sc(c(c1C(=O)OC)C)C
ZINC000001453449
ZINC01453449
ZINC1453449
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