Vitas-M small molecule compound

(4E)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-5-[3-(prop-2-en-1-yloxy)phenyl]-1-(1,3-thiazol-2-yl)pyrrolidine-2,3-dione

Catalog ID
STK579372
SMILES C=CCOc1cccc(c1)C1/C(=C(/c2ccc3c(c2)OCCO3)\O)/C(=O)C(=O)N1c1nccs1

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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 C25H20N2O6S MW 476.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H20N2O6S/c1-2-9-31-17-5-3-4-15(13-17)21-20(23(29)24(30)27(21)25-26-8-12-34-25)22(28)16-6-7-18-19(14-16)33-11-10-32-18/h2-8,12-14,21,28H,1,9-11H2/b22-20+
InChIKey
DSJHEWNKMAMIJO-LSDHQDQOSA-N
Synonyms

(4E)4(23dihydro14benzodioxin6yl(hydroxy)methylidene)5(3(prop2en1yloxy)phenyl)1(13thiazol2yl)pyrrolidine23dione
(4E)4(23DIHYDRO14BENZODIOXIN6YL(HYDROXY)METHYLIDENE)5(3PROP2ENOXYPHENYL)1(13THIAZOL2YL)PYRROLIDINE23DIONE
5(3(ALLYLOXY)PHENYL)4(23DIHYDRO14BENZODIOXIN6YLCARBONYL)3HYDROXY1(13THIAZOL2YL)15DIHYDRO2HPYRROL2ONE
C=CCOC1=CC=CC(=C1)C2C(=C(C3=CC4=C(C=C3)OCCO4)O)C(=O)C(=O)N2C5=NC=CS5
C=CCOc1cccc(c1)C1C(=C(c2ccc3c(c2)OCCO3)O)C(=O)C(=O)N1c1nccs1
InChI=1SC25H20N2O6Sc129311753415(1317)2120(23(29)24(30)27(21)25268123425)22(28)16671819(1416)3311103218h2812142128H1911H2b2220+
MFCD07211502
ZINC000101313902
ZINC000101313904

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Available files

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