Vitas-M small molecule compound
(4E)-5-(3-chlorophenyl)-1-{5-[(2-fluorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-4-[hydroxy(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]pyrrolidine-2,3-dione
Catalog ID
STK585831
SMILES CC1Oc2c(C1)cc(cc2)/C(=C/1\C(=O)C(=O)N(C1c1cccc(c1)Cl)c1nnc(s1)SCc1ccccc1F)/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 C29H21ClFN3O4S2 MW 594.09 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H21ClFN3O4S2/c1-15-11-19-12-17(9-10-22(19)38-15)25(35)23-24(16-6-4-7-20(30)13-16)34(27(37)26(23)36)28-32-33-29(40-28)39-14-18-5-2-3-8-21(18)31/h2-10,12-13,15,24,35H,11,14H2,1H3/b25-23+InChIKey
IGHWROWUBAYKIH-WJTDDFOZSA-NSynonyms
897835-85-7(4E)5(3chlorophenyl)1(5((2fluorobenzyl)sulfanyl)134thiadiazol2yl)4(hydroxy(2methyl23dihydro1benzofuran5yl)methylidene)pyrrolidine23dione
(4E)5(3chlorophenyl)1(5((2fluorophenyl)methylsulfanyl)134thiadiazol2yl)4(hydroxy(2methyl23dihydro1benzofuran5yl)methylidene)pyrrolidine23dione
CC1CC2=C(O1)C=CC(=C2)C(=C3C(N(C(=O)C3=O)C4=NN=C(S4)SCC5=CC=CC=C5F)C6=CC(=CC=C6)Cl)O
CC1Oc2c(C1)cc(cc2)C(=C1C(=O)C(=O)N(C1c1cccc(c1)Cl)c1nnc(s1)SCc1ccccc1F)O
Registry IDs
MFCD07209723ZINC000102598901
ZINC000102671209
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