Vitas-M small molecule compound

ethyl 4-[({[(4-oxo-3-phenyl-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetyl}amino)methyl]benzoate

Catalog ID
STK606506
SMILES CCOC(=O)c1ccc(cc1)CNC(=O)CSc1nc2sc3c(c2c(=O)n1c1ccccc1)CCC3

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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 C27H25N3O4S2 MW 519.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H25N3O4S2/c1-2-34-26(33)18-13-11-17(12-14-18)15-28-22(31)16-35-27-29-24-23(20-9-6-10-21(20)36-24)25(32)30(27)19-7-4-3-5-8-19/h3-5,7-8,11-14H,2,6,9-10,15-16H2,1H3,(H,28,31)
InChIKey
CGBBQMXKHBZGJL-UHFFFAOYSA-N
Synonyms
496029-18-6
496029186
CCOC(=O)C1=CC=C(C=C1)CNC(=O)CSC2=NC3=C(C4=C(S3)CCC4)C(=O)N2C5=CC=CC=C5
ethyl4(((((4oxo3phenyl3567tetrahydro4Hcyclopenta(45)thieno(23d)pyrimidin2yl)sulfanyl)acetyl)amino)methyl)benzoate
ethyl4(((2((1oxo2phenyl78dihydro6Hcyclopenta(23)thieno(24b)pyrimidin3yl)sulfanyl)acetyl)amino)methyl)benzoate
ethyl4((2((4oxo3phenyl4567tetrahydro3Hcyclopenta(45)thieno(23d)pyrimidin2yl)thio)acetamido)methyl)benzoate
InChI=1SC27H25N3O4S2c123426(33)18131117(121418)152822(31)163527292423(20961021(20)3624)25(32)30(27)197435819h35781114H269101516H21H3(H2831)
MFCD03668922
ZINC000001471210
ZINC01471210
ZINC1471210

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Available files

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