Vitas-M small molecule compound

ethyl 3-({[(3-cyclopentyl-4-oxo-3,4-dihydro[1]benzofuro[3,2-d]pyrimidin-2-yl)sulfanyl]acetyl}amino)benzoate

Catalog ID
STL085264
SMILES CCOC(=O)c1cccc(c1)NC(=O)CSc1nc2c3ccccc3oc2c(=O)n1C1CCCC1

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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 C26H25N3O5S MW 491.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H25N3O5S/c1-2-33-25(32)16-8-7-9-17(14-16)27-21(30)15-35-26-28-22-19-12-5-6-13-20(19)34-23(22)24(31)29(26)18-10-3-4-11-18/h5-9,12-14,18H,2-4,10-11,15H2,1H3,(H,27,30)
InChIKey
QWZBTQKBWKMAFZ-UHFFFAOYSA-N
Synonyms
923194-13-2
923194132
CCOC(=O)C1=CC(=CC=C1)NC(=O)CSC2=NC3=C(C(=O)N2C4CCCC4)OC5=CC=CC=C53
ethyl3((((3cyclopentyl4oxo34dihydro(1)benzofuro(32d)pyrimidin2yl)sulfanyl)acetyl)amino)benzoate
ethyl3((2((3cyclopentyl4oxo(1)benzofuro(32d)pyrimidin2yl)sulfanyl)acetyl)amino)benzoate
ETHYL3(2((3CYCLOPENTYL4OXO34DIHYDROBENZOFURO(32D)PYRIMIDIN2YL)THIO)ACETAMIDO)BENZOATE
InChI=1SC26H25N3O5Sc123325(32)1687917(1416)2721(30)15352628221912561320(19)3423(22)24(31)29(26)1810341118h59121418H24101115H21H3(H2730)
MFCD08538711
ZINC000009752562
ZINC09752562
ZINC9752562

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Available files

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