CHEBI:84982 - MS-566

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ChEBI Name MS-566 ChEBI ID CHEBI:84982 Definition A member of the class of thienotriazolodiazepines that is the methyl ester of [(6R)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl]acetic acid. Stars This entity has been manually annotated by the ChEBI Team. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C20H19ClN4O2S Net Charge 0 Average Mass 414.90800 Monoisotopic Mass 414.09172 InChI InChI=1S/C20H19ClN4O2S/c1-10-11(2)28-20-17(10)18(13-5-7-14(21)8-6-13)22-15(9-16(26)27-4)19-24-23-12(3)25(19)20/h5-8,15H,9H2,1-4H3/t15-/m1/s1 InChIKey GGRCIHACOIMRKY-OAHLLOKOSA-N SMILES COC(=O)C[C@H]1N=C(c2c(C)c(C)sc2-n2c(C)nnc12)c1ccc(Cl)cc1 ChEBI Ontology Outgoing MS-566 (CHEBI:84982) is a methyl ester (CHEBI:25248) MS-566 (CHEBI:84982) is a monochlorobenzenes (CHEBI:83403) MS-566 (CHEBI:84982) is a thienotriazolodiazepine (CHEBI:84232) MS-566 (CHEBI:84982) is enantiomer of MS-417 (CHEBI:83406) Incoming MS-417 (CHEBI:83406) is enantiomer of MS-566 (CHEBI:84982) IUPAC Name methyl [(6R)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl]acetate Synonym Source MS566 ChEBI Last Modified 03 March 2015