Vitas-M small molecule compound
methyl 2-{[(4-bromo-2,6-dimethylphenoxy)acetyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STL062948
SMILES COC(=O)c1c(NC(=O)COc2c(C)cc(cc2C)Br)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 C20H22BrNO4S MW 452.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H22BrNO4S/c1-11-8-13(21)9-12(2)18(11)26-10-16(23)22-19-17(20(24)25-3)14-6-4-5-7-15(14)27-19/h8-9H,4-7,10H2,1-3H3,(H,22,23)InChIKey
KCJHLCFEAHQZDH-UHFFFAOYSA-NSynonyms
CC1=CC(=CC(=C1OCC(=O)NC2=C(C3=C(S2)CCCC3)C(=O)OC)C)Br
InChI=1SC20H22BrNO4Sc111813(21)912(2)18(11)261016(23)221917(20(24)253)14645715(14)2719h89H4710H213H3(H2223)
methyl2(((4bromo26dimethylphenoxy)acetyl)amino)4567tetrahydro1benzothiophene3carboxylate
methyl2((2(4bromo26dimethylphenoxy)acetyl)amino)4567tetrahydro1benzothiophene3carboxylate
MFCD03537314
ZINC000001930422
ZINC01930422
ZINC1930422
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