Vitas-M small molecule compound

ethyl 2-{[bromo(phenyl)acetyl]amino}-5,5-dimethyl-4,7-dihydro-5H-thieno[2,3-c]pyran-3-carboxylate

Catalog ID
STK545050
SMILES CCOC(=O)c1c(NC(=O)C(c2ccccc2)Br)sc2c1CC(C)(C)OC2

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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/c1-4-25-19(24)15-13-10-20(2,3)26-11-14(13)27-18(15)22-17(23)16(21)12-8-6-5-7-9-12/h5-9,16H,4,10-11H2,1-3H3,(H,22,23)
InChIKey
PLCOHKSKJKIBAI-UHFFFAOYSA-N
Synonyms
497078-95-2
CCOC(=O)C1=C(SC2=C1CC(OC2)(C)C)NC(=O)C(C3=CC=CC=C3)Br
ETHYL2((2BROMO2PHENYLACETYL)AMINO)55DIMETHYL47DIHYDROTHIENO(23C)PYRAN3CARBOXYLATE
ethyl2((bromo(phenyl)acetyl)amino)55dimethyl47dihydro5Hthieno(23c)pyran3carboxylate
ethyl2(2bromo2phenylacetamido)55dimethyl57dihydro4Hthieno(23c)pyran3carboxylate
Registry IDs
MFCD03299465
ZINC000002318604
ZINC000002318605

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.