Vitas-M small molecule compound

2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-3-phenyl-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one

Catalog ID
STK531576
SMILES Brc1ccc(cc1)C(=O)CSc1nc2sc3c(c2c(=O)n1c1ccccc1)CCCCC3

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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 C25H21BrN2O2S2 MW 525.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H21BrN2O2S2/c26-17-13-11-16(12-14-17)20(29)15-31-25-27-23-22(19-9-5-2-6-10-21(19)32-23)24(30)28(25)18-7-3-1-4-8-18/h1,3-4,7-8,11-14H,2,5-6,9-10,15H2
InChIKey
VREXWPJKVBXADL-UHFFFAOYSA-N
Synonyms

2((2(4bromophenyl)2oxoethyl)sulfanyl)3phenyl356789hexahydro4Hcyclohepta(45)thieno(23d)pyrimidin4one
2((2(4bromophenyl)2oxoethyl)thio)3phenyl6789tetrahydro3Hcyclohepta(45)thieno(23d)pyrimidin4(5H)one
2(2(4bromophenyl)2oxoethyl)sulfanyl3phenyl6789tetrahydro5Hcyclohepta(23)thieno(24b)pyrimidin4one
C1CCC2=C(CC1)SC3=C2C(=O)N(C(=N3)SCC(=O)C4=CC=C(C=C4)Br)C5=CC=CC=C5
InChI=1SC25H21BrN2O2S2c2617131116(121417)20(29)153125272322(1995261021(19)3223)24(30)28(25)187314818h134781114H25691015H2
MFCD02990897
ZINC000001745428
ZINC01745428
ZINC1745428

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Available files

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