Vitas-M small molecule compound
(4E)-1-{5-[(2,4-dichlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-5-[3-(prop-2-en-1-yloxy)phenyl]pyrrolidine-2,3-dione
Catalog ID
STK575247
SMILES C=CCOc1cccc(c1)C1N(c2nnc(s2)SCc2ccc(cc2Cl)Cl)C(=O)C(=O)/C/1=C(\c1ccc2c(c1)OCCO2)/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 C31H23Cl2N3O6S2 MW 668.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H23Cl2N3O6S2/c1-2-10-40-21-5-3-4-17(13-21)26-25(27(37)18-7-9-23-24(14-18)42-12-11-41-23)28(38)29(39)36(26)30-34-35-31(44-30)43-16-19-6-8-20(32)15-22(19)33/h2-9,13-15,26,37H,1,10-12,16H2/b27-25+InChIKey
JKMPBZDLKOXVGM-IMVLJIQESA-NSynonyms
618855-44-0(4E)1(5((24dichlorobenzyl)sulfanyl)134thiadiazol2yl)4(23dihydro14benzodioxin6yl(hydroxy)methylidene)5(3(prop2en1yloxy)phenyl)pyrrolidine23dione
(4E)1(5((24DICHLOROPHENYL)METHYLSULFANYL)134THIADIAZOL2YL)4(23DIHYDRO14BENZODIOXIN6YL(HYDROXY)METHYLIDENE)5(3PROP2ENOXYPHENYL)PYRROLIDINE23DIONE
618855440
C=CCOC1=CC=CC(=C1)C2C(=C(C3=CC4=C(C=C3)OCCO4)O)C(=O)C(=O)N2C5=NN=C(S5)SCC6=C(C=C(C=C6)Cl)Cl
C=CCOc1cccc(c1)C1N(c2nnc(s2)SCc2ccc(cc2Cl)Cl)C(=O)C(=O)C1=C(c1ccc2c(c1)OCCO2)O
InChI=1SC31H23Cl2N3O6S2c1210402153417(1321)2625(27(37)18792324(1418)4212114123)28(38)29(39)36(26)30343531(4430)4316196820(32)1522(19)33h2913152637H1101216H2b2725+
MFCD07202814
ZINC000150467504
ZINC000150467509
Check stock
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Check stock on Vitas-MAvailable files
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