Vitas-M small molecule compound
methyl 2-{[(2-bromo-4-methylphenoxy)acetyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK052289
SMILES COC(=O)c1c(NC(=O)COc2ccc(cc2Br)C)sc2c1CCCC2
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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 C19H20BrNO4S MW 438.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H20BrNO4S/c1-11-7-8-14(13(20)9-11)25-10-16(22)21-18-17(19(23)24-2)12-5-3-4-6-15(12)26-18/h7-9H,3-6,10H2,1-2H3,(H,21,22)InChIKey
FFAMERWEHBHALE-UHFFFAOYSA-NSynonyms
CC1=CC(=C(C=C1)OCC(=O)NC2=C(C3=C(S2)CCCC3)C(=O)OC)Br
COC(=O)c1c(NC(=O)COc2ccc(cc2Br)C)sc2c1CCCC2
InChI=1SC19H20BrNO4Sc1117814(13(20)911)251016(22)211817(19(23)242)12534615(12)2618h79H3610H212H3(H2122)
methyl2(((2bromo4methylphenoxy)acetyl)amino)4567tetrahydro1benzothiophene3carboxylate
methyl2((2(2bromo4methylphenoxy)acetyl)amino)4567tetrahydro1benzothiophene3carboxylate
MFCD02828465
STK052289
ZINC000000673705
ZINC00673705
ZINC673705
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Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.