Vitas-M small molecule compound
propan-2-yl 2-{[(2E)-3-(3-bromo-5-ethoxy-4-hydroxyphenyl)-2-cyanoprop-2-enoyl]amino}thiophene-3-carboxylate
Catalog ID
STK472707
SMILES CCOc1cc(/C=C(/C(=O)Nc2sccc2C(=O)OC(C)C)\C#N)cc(c1O)Br
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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 C20H19BrN2O5S MW 479.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H19BrN2O5S/c1-4-27-16-9-12(8-15(21)17(16)24)7-13(10-22)18(25)23-19-14(5-6-29-19)20(26)28-11(2)3/h5-9,11,24H,4H2,1-3H3,(H,23,25)/b13-7+InChIKey
PAIWMFOQEHLKSE-NTUHNPAUSA-NSynonyms
CCOC1=C(C(=CC(=C1)C=C(C#N)C(=O)NC2=C(C=CS2)C(=O)OC(C)C)Br)O
CCOc1cc(C=C(C(=O)Nc2sccc2C(=O)OC(C)C)C#N)cc(c1O)Br
InChI=1SC20H19BrN2O5Sc142716912(815(21)17(16)24)713(1022)18(25)231914(562919)20(26)2811(2)3h591124H4H213H3(H2325)b137+
METHYLETHYL2((2E)3(3BROMO5ETHOXY4HYDROXYPHENYL)2CYANOPROP2ENOYLAMINO)THIOPHENE3CARBOXYLATE
MFCD07093371
propan2yl2(((2E)3(3bromo5ethoxy4hydroxyphenyl)2cyanoprop2enoyl)amino)thiophene3carboxylate
propan2yl2(((E)3(3bromo5ethoxy4hydroxyphenyl)2cyanoprop2enoyl)amino)thiophene3carboxylate
ZINC000020175513
ZINC20175513
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