Vitas-M small molecule compound
(4E)-1-{5-[(4-chlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-5-(3-ethoxyphenyl)-4-[hydroxy(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]pyrrolidine-2,3-dione
Catalog ID
STL049404
SMILES CCOc1cccc(c1)C1N(c2nnc(s2)SCc2ccc(cc2)Cl)C(=O)C(=O)/C/1=C(\c1ccc2c(c1)CC(O2)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 C31H26ClN3O5S2 MW 620.15 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H26ClN3O5S2/c1-3-39-23-6-4-5-19(15-23)26-25(27(36)20-9-12-24-21(14-20)13-17(2)40-24)28(37)29(38)35(26)30-33-34-31(42-30)41-16-18-7-10-22(32)11-8-18/h4-12,14-15,17,26,36H,3,13,16H2,1-2H3/b27-25+InChIKey
YZPKENIGULFGEA-IMVLJIQESA-NSynonyms
893699-56-4(4E)1(5((4chlorobenzyl)sulfanyl)134thiadiazol2yl)5(3ethoxyphenyl)4(hydroxy(2methyl23dihydro1benzofuran5yl)methylidene)pyrrolidine23dione
(4E)1(5((4CHLOROPHENYL)METHYLSULFANYL)134THIADIAZOL2YL)5(3ETHOXYPHENYL)4(HYDROXY(2METHYL23DIHYDRO1BENZOFURAN5YL)METHYLIDENE)PYRROLIDINE23DIONE
893699564
CCOC1=CC=CC(=C1)C2C(=C(C3=CC4=C(C=C3)OC(C4)C)O)C(=O)C(=O)N2C5=NN=C(S5)SCC6=CC=C(C=C6)Cl
CCOc1cccc(c1)C1N(c2nnc(s2)SCc2ccc(cc2)Cl)C(=O)C(=O)C1=C(c1ccc2c(c1)CC(O2)C)O
InChI=1SC31H26ClN3O5S2c13392364519(1523)2625(27(36)209122421(1420)1317(2)4024)28(37)29(38)35(26)30333431(4230)41161871022(32)11818h4121415172636H31316H212H3b2725+
MFCD05733825
ZINC000102887295
ZINC000102887300
Check stock
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Check stock on Vitas-MAvailable files
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