Vitas-M small molecule compound
(4E)-1-{5-[(4-chlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-5-[4-(propan-2-yl)phenyl]pyrrolidine-2,3-dione
Catalog ID
STK596552
SMILES Clc1ccc(cc1)CSc1nnc(s1)N1C(c2ccc(cc2)C(C)C)/C(=C(/c2ccc3c(c2)OCCO3)\O)/C(=O)C1=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/c1-17(2)19-5-7-20(8-6-19)26-25(27(36)21-9-12-23-24(15-21)40-14-13-39-23)28(37)29(38)35(26)30-33-34-31(42-30)41-16-18-3-10-22(32)11-4-18/h3-12,15,17,26,36H,13-14,16H2,1-2H3/b27-25+InChIKey
BWSBEXMACLPHON-IMVLJIQESA-NSynonyms
620576-63-8(4E)1(5((4chlorobenzyl)sulfanyl)134thiadiazol2yl)4(23dihydro14benzodioxin6yl(hydroxy)methylidene)5(4(propan2yl)phenyl)pyrrolidine23dione
(4E)1(5((4CHLOROPHENYL)METHYLSULFANYL)134THIADIAZOL2YL)4(23DIHYDRO14BENZODIOXIN6YL(HYDROXY)METHYLIDENE)5(4PROPAN2YLPHENYL)PYRROLIDINE23DIONE
620576638
CC(C)C1=CC=C(C=C1)C2C(=C(C3=CC4=C(C=C3)OCCO4)O)C(=O)C(=O)N2C5=NN=C(S5)SCC6=CC=C(C=C6)Cl
Clc1ccc(cc1)CSc1nnc(s1)N1C(c2ccc(cc2)C(C)C)C(=C(c2ccc3c(c2)OCCO3)O)C(=O)C1=O
InChI=1SC31H26ClN3O5S2c117(2)195720(8619)2625(27(36)219122324(1521)4014133923)28(37)29(38)35(26)30333431(4230)41161831022(32)11418h31215172636H131416H212H3b2725+
MFCD07201749
ZINC000102620984
ZINC000102620989
Check stock
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Check stock on Vitas-MAvailable files
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