Vitas-M small molecule compound

ethyl 2-(acetylamino)-6-bromo-7-[3-(cyclohexylamino)-2-hydroxypropoxy]-1-benzothiophene-3-carboxylate

Catalog ID
STK995693
SMILES CCOC(=O)c1c(NC(=O)C)sc2c1ccc(c2OCC(CNC1CCCCC1)O)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 C22H29BrN2O5S MW 513.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H29BrN2O5S/c1-3-29-22(28)18-16-9-10-17(23)19(20(16)31-21(18)25-13(2)26)30-12-15(27)11-24-14-7-5-4-6-8-14/h9-10,14-15,24,27H,3-8,11-12H2,1-2H3,(H,25,26)
InChIKey
QDMMAPZOBYICSQ-UHFFFAOYSA-N
Synonyms

CCOC(=O)C1=C(SC2=C1C=CC(=C2OCC(CNC3CCCCC3)O)Br)NC(=O)C
ethyl2(acetylamino)6bromo7(3(cyclohexylamino)2hydroxypropoxy)1benzothiophene3carboxylate
ETHYL2(ACETYLAMINO)6BROMO7(3(CYCLOHEXYLAMINO)2HYDROXYPROPOXY)BENZO(B)THIOPHENE3CARBOXYLATE
ETHYL2ACETAMIDO6BROMO7(3(CYCLOHEXYLAMINO)2HYDROXYPROPOXY)1BENZOTHIOPHENE3CARBOXYLATE
InChI=1SC22H29BrN2O5Sc132922(28)181691017(23)19(20(16)3121(18)2513(2)26)301215(27)1124147546814h91014152427H381112H212H3(H2526)
MFCD00769547
ZINC000000823396
ZINC000000823397

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Available files

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