Vitas-M small molecule compound
(4E)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-1-{5-[(2-fluorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-5-[3-(prop-2-en-1-yloxy)phenyl]pyrrolidine-2,3-dione
Catalog ID
STK574564
SMILES C=CCOc1cccc(c1)C1N(c2nnc(s2)SCc2ccccc2F)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 C31H24FN3O6S2 MW 617.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H24FN3O6S2/c1-2-12-39-21-8-5-7-18(15-21)26-25(27(36)19-10-11-23-24(16-19)41-14-13-40-23)28(37)29(38)35(26)30-33-34-31(43-30)42-17-20-6-3-4-9-22(20)32/h2-11,15-16,26,36H,1,12-14,17H2/b27-25+InChIKey
ICTCBLMTKNFPHE-IMVLJIQESA-NSynonyms
620578-25-8(4E)4(23dihydro14benzodioxin6yl(hydroxy)methylidene)1(5((2fluorobenzyl)sulfanyl)134thiadiazol2yl)5(3(prop2en1yloxy)phenyl)pyrrolidine23dione
(4E)4(23DIHYDRO14BENZODIOXIN6YL(HYDROXY)METHYLIDENE)1(5((2FLUOROPHENYL)METHYLSULFANYL)134THIADIAZOL2YL)5(3PROP2ENOXYPHENYL)PYRROLIDINE23DIONE
620578258
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=C6F
C=CCOc1cccc(c1)C1N(c2nnc(s2)SCc2ccccc2F)C(=O)C(=O)C1=C(c1ccc2c(c1)OCCO2)O
InChI=1SC31H24FN3O6S2c1212392185718(1521)2625(27(36)1910112324(1619)4114134023)28(37)29(38)35(26)30333431(4330)421720634922(20)32h21115162636H1121417H2b2725+
MFCD07197909
ZINC000101316979
ZINC000101316982
Check stock
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Check stock on Vitas-MAvailable files
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