Vitas-M small molecule compound
ethyl 2-{[(2E)-3-{3-[(4-bromophenoxy)methyl]-4-methoxyphenyl}prop-2-enoyl]amino}-4,5-dimethylthiophene-3-carboxylate
Catalog ID
STK302955
SMILES CCOC(=O)c1c(NC(=O)/C=C/c2ccc(c(c2)COc2ccc(cc2)Br)OC)sc(c1C)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 C26H26BrNO5S MW 544.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H26BrNO5S/c1-5-32-26(30)24-16(2)17(3)34-25(24)28-23(29)13-7-18-6-12-22(31-4)19(14-18)15-33-21-10-8-20(27)9-11-21/h6-14H,5,15H2,1-4H3,(H,28,29)/b13-7+InChIKey
XWHYRMNJUUFINX-NTUHNPAUSA-NSynonyms
827588-03-4827588034
CCOC(=O)C1=C(SC(=C1C)C)NC(=O)C=CC2=CC(=C(C=C2)OC)COC3=CC=C(C=C3)Br
CCOC(=O)c1c(NC(=O)C=Cc2ccc(c(c2)COc2ccc(cc2)Br)OC)sc(c1C)C
ethyl2(((2E)3(3((4bromophenoxy)methyl)4methoxyphenyl)prop2enoyl)amino)45dimethylthiophene3carboxylate
ETHYL2(((E)3(3((4BROMOPHENOXY)METHYL)4METHOXYPHENYL)PROP2ENOYL)AMINO)45DIMETHYLTHIOPHENE3CARBOXYLATE
InChI=1SC26H26BrNO5Sc153226(30)2416(2)17(3)3425(24)2823(29)1371861222(314)19(1418)15332110820(27)91121h614H515H214H3(H2829)b137+
MFCD04048899
ZINC000002752021
ZINC2752021
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