Vitas-M small molecule compound
(4E)-1-{5-[(2,4-dichlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-5-(2-fluorophenyl)-4-[hydroxy(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]pyrrolidine-2,3-dione
Catalog ID
STK580687
SMILES CC1Oc2c(C1)cc(cc2)/C(=C/1\C(=O)C(=O)N(C1c1ccccc1F)c1nnc(s1)SCc1ccc(cc1Cl)Cl)/O
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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 C29H20Cl2FN3O4S2 MW 628.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H20Cl2FN3O4S2/c1-14-10-17-11-15(7-9-22(17)39-14)25(36)23-24(19-4-2-3-5-21(19)32)35(27(38)26(23)37)28-33-34-29(41-28)40-13-16-6-8-18(30)12-20(16)31/h2-9,11-12,14,24,36H,10,13H2,1H3/b25-23+InChIKey
JVGWSARPEKHLOS-WJTDDFOZSA-NSynonyms
897835-71-1(4E)1(5((24dichlorobenzyl)sulfanyl)134thiadiazol2yl)5(2fluorophenyl)4(hydroxy(2methyl23dihydro1benzofuran5yl)methylidene)pyrrolidine23dione
(4E)1(5((24dichlorophenyl)methylsulfanyl)134thiadiazol2yl)5(2fluorophenyl)4(hydroxy(2methyl23dihydro1benzofuran5yl)methylidene)pyrrolidine23dione
897835711
CC1CC2=C(O1)C=CC(=C2)C(=C3C(N(C(=O)C3=O)C4=NN=C(S4)SCC5=C(C=C(C=C5)Cl)Cl)C6=CC=CC=C6F)O
CC1Oc2c(C1)cc(cc2)C(=C1C(=O)C(=O)N(C1c1ccccc1F)c1nnc(s1)SCc1ccc(cc1Cl)Cl)O
InChI=1SC29H20Cl2FN3O4S2c11410171115(7922(17)3914)25(36)2324(19423521(19)32)35(27(38)26(23)37)28333429(4128)4013166818(30)1220(16)31h291112142436H1013H21H3b2523+
MFCD07211081
ZINC000150472709
ZINC000150472716
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.