Vitas-M small molecule compound
(4E)-5-(3-chlorophenyl)-1-{5-[(4-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
STL040586
SMILES CC1Oc2c(C1)cc(cc2)/C(=C/1\C(=O)C(=O)N(C1c1cccc(c1)Cl)c1nnc(s1)SCc1ccc(cc1)F)/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/c1-15-11-19-12-18(7-10-22(19)38-15)25(35)23-24(17-3-2-4-20(30)13-17)34(27(37)26(23)36)28-32-33-29(40-28)39-14-16-5-8-21(31)9-6-16/h2-10,12-13,15,24,35H,11,14H2,1H3/b25-23+InChIKey
PBDLXELTLIFQJU-WJTDDFOZSA-NSynonyms
893700-04-4(4E)5(3chlorophenyl)1(5((4fluorobenzyl)sulfanyl)134thiadiazol2yl)4(hydroxy(2methyl23dihydro1benzofuran5yl)methylidene)pyrrolidine23dione
(4E)5(3CHLOROPHENYL)1(5((4FLUOROPHENYL)METHYLSULFANYL)134THIADIAZOL2YL)4(HYDROXY(2METHYL23DIHYDRO1BENZOFURAN5YL)METHYLIDENE)PYRROLIDINE23DIONE
893700044
CC1CC2=C(O1)C=CC(=C2)C(=C3C(N(C(=O)C3=O)C4=NN=C(S4)SCC5=CC=C(C=C5)F)C6=CC(=CC=C6)Cl)O
CC1Oc2c(C1)cc(cc2)C(=C1C(=O)C(=O)N(C1c1cccc(c1)Cl)c1nnc(s1)SCc1ccc(cc1)F)O
InChI=1SC29H21ClFN3O4S2c11511191218(71022(19)3815)25(35)2324(1732420(30)1317)34(27(37)26(23)36)28323329(4028)3914165821(31)9616h2101213152435H1114H21H3b2523+
MFCD05725567
ZINC000102771311
ZINC000102771315
Check stock
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Check stock on Vitas-MAvailable files
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