Vitas-M small molecule compound
(4E)-1-[5-(benzylsulfanyl)-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
STK587237
SMILES C=CCOc1cccc(c1)C1N(c2nnc(s2)SCc2ccccc2)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 C31H25N3O6S2 MW 599.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H25N3O6S2/c1-2-13-38-22-10-6-9-20(16-22)26-25(27(35)21-11-12-23-24(17-21)40-15-14-39-23)28(36)29(37)34(26)30-32-33-31(42-30)41-18-19-7-4-3-5-8-19/h2-12,16-17,26,35H,1,13-15,18H2/b27-25+InChIKey
PXEHBELKMCGSNM-IMVLJIQESA-NSynonyms
620573-68-4(4E)1(5(benzylsulfanyl)134thiadiazol2yl)4(23dihydro14benzodioxin6yl(hydroxy)methylidene)5(3(prop2en1yloxy)phenyl)pyrrolidine23dione
(4E)1(5BENZYLSULFANYL134THIADIAZOL2YL)4(23DIHYDRO14BENZODIOXIN6YL(HYDROXY)METHYLIDENE)5(3PROP2ENOXYPHENYL)PYRROLIDINE23DIONE
620573684
C=CCOC1=CC=CC(=C1)C2C(=C(C3=CC4=C(C=C3)OCCO4)O)C(=O)C(=O)N2C5=NN=C(S5)SCC6=CC=CC=C6
C=CCOc1cccc(c1)C1N(c2nnc(s2)SCc2ccccc2)C(=O)C(=O)C1=C(c1ccc2c(c1)OCCO2)O
InChI=1SC31H25N3O6S2c12133822106920(1622)2625(27(35)2111122324(1721)4015143923)28(36)29(37)34(26)30323331(4230)4118197435819h21216172635H1131518H2b2725+
MFCD07206497
ZINC000101316899
ZINC000101316901
Check stock
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Check stock on Vitas-MAvailable files
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