Vitas-M small molecule compound
propan-2-yl 2-{[(2E)-3-(3-bromo-4-ethoxy-5-methoxyphenyl)-2-cyanoprop-2-enoyl]amino}thiophene-3-carboxylate
Catalog ID
STK473469
SMILES CCOc1c(Br)cc(cc1OC)/C=C(/C(=O)Nc1sccc1C(=O)OC(C)C)\C#N
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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 C21H21BrN2O5S MW 493.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21BrN2O5S/c1-5-28-18-16(22)9-13(10-17(18)27-4)8-14(11-23)19(25)24-20-15(6-7-30-20)21(26)29-12(2)3/h6-10,12H,5H2,1-4H3,(H,24,25)/b14-8+InChIKey
LCTLOLUMSNFEOK-RIYZIHGNSA-NSynonyms
CCOC1=C(C=C(C=C1Br)C=C(C#N)C(=O)NC2=C(C=CS2)C(=O)OC(C)C)OC
CCOc1c(Br)cc(cc1OC)C=C(C(=O)Nc1sccc1C(=O)OC(C)C)C#N
InChI=1SC21H21BrN2O5Sc15281816(22)913(1017(18)274)814(1123)19(25)242015(673020)21(26)2912(2)3h61012H5H214H3(H2425)b148+
METHYLETHYL2((2E)3(3BROMO4ETHOXY5METHOXYPHENYL)2CYANOPROP2ENOYLAMINO)THIOPHENE3CARBOXYLATE
MFCD07093412
propan2yl2(((2E)3(3bromo4ethoxy5methoxyphenyl)2cyanoprop2enoyl)amino)thiophene3carboxylate
propan2yl2(((E)3(3bromo4ethoxy5methoxyphenyl)2cyanoprop2enoyl)amino)thiophene3carboxylate
ZINC000020175440
ZINC20175440
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