Vitas-M small molecule compound
(4E)-5-(2-fluorophenyl)-4-[hydroxy(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]-1-{5-[(4-methylbenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}pyrrolidine-2,3-dione
Catalog ID
STL042118
SMILES CC1Oc2c(C1)cc(cc2)/C(=C/1\C(=O)C(=O)N(C1c1ccccc1F)c1nnc(s1)SCc1ccc(cc1)C)/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 C30H24FN3O4S2 MW 573.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H24FN3O4S2/c1-16-7-9-18(10-8-16)15-39-30-33-32-29(40-30)34-25(21-5-3-4-6-22(21)31)24(27(36)28(34)37)26(35)19-11-12-23-20(14-19)13-17(2)38-23/h3-12,14,17,25,35H,13,15H2,1-2H3/b26-24+InChIKey
NNQBECOHYBXCFG-SHHOIMCASA-NSynonyms
893697-80-8(4E)5(2fluorophenyl)4(hydroxy(2methyl23dihydro1benzofuran5yl)methylidene)1(5((4methylbenzyl)sulfanyl)134thiadiazol2yl)pyrrolidine23dione
(4E)5(2FLUOROPHENYL)4(HYDROXY(2METHYL23DIHYDRO1BENZOFURAN5YL)METHYLIDENE)1(5((4METHYLPHENYL)METHYLSULFANYL)134THIADIAZOL2YL)PYRROLIDINE23DIONE
893697808
CC1CC2=C(O1)C=CC(=C2)C(=C3C(N(C(=O)C3=O)C4=NN=C(S4)SCC5=CC=C(C=C5)C)C6=CC=CC=C6F)O
CC1Oc2c(C1)cc(cc2)C(=C1C(=O)C(=O)N(C1c1ccccc1F)c1nnc(s1)SCc1ccc(cc1)C)O
InChI=1SC30H24FN3O4S2c1167918(10816)153930333229(4030)3425(21534622(21)31)24(27(36)28(34)37)26(35)1911122320(1419)1317(2)3823h31214172535H1315H212H3b2624+
MFCD05737184
ZINC000102771441
ZINC000102771450
Check stock
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Check stock on Vitas-MAvailable files
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