Vitas-M small molecule compound

2-fluoro-5-{[2-(2-hydroxy-4-oxoquinazolin-3(4H)-yl)-4-(methylsulfanyl)butanoyl]amino}-N,N-dimethylbenzamide

Catalog ID
STL568761
SMILES CSCCC(n1c(O)nc2c(c1=O)cccc2)C(=O)Nc1ccc(c(c1)C(=O)N(C)C)F

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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 C22H23FN4O4S MW 458.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H23FN4O4S/c1-26(2)20(29)15-12-13(8-9-16(15)23)24-19(28)18(10-11-32-3)27-21(30)14-6-4-5-7-17(14)25-22(27)31/h4-9,12,18H,10-11H2,1-3H3,(H,24,28)(H,25,31)
InChIKey
CMRMLNYVHKELRM-UHFFFAOYSA-N
Synonyms

132286124
2fluoro5((2(2hydroxy4oxoquinazolin3(4H)yl)4(methylsulfanyl)butanoyl)amino)NNdimethylbenzamide
5((2(24dioxo1Hquinazolin3yl)4methylsulfanylbutanoyl)amino)2fluoroNNdimethylbenzamide
InChI=1SC22H23FN4O4Sc126(2)20(29)151213(8916(15)23)2419(28)18(1011323)2721(30)14645717(14)2522(27)31h491218H1011H213H3(H2428)(H2531)
MFCD32653813
ZINC000524732277
ZINC000888089436

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Available files

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