Vitas-M small molecule compound

(4E)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-1-(6-methyl-1,3-benzothiazol-2-yl)-5-(thiophen-2-yl)pyrrolidine-2,3-dione

Catalog ID
STL053478
SMILES Cc1ccc2c(c1)sc(n2)N1C(c2cccs2)/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 C25H18N2O5S2 MW 490.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H18N2O5S2/c1-13-4-6-15-19(11-13)34-25(26-15)27-21(18-3-2-10-33-18)20(23(29)24(27)30)22(28)14-5-7-16-17(12-14)32-9-8-31-16/h2-7,10-12,21,28H,8-9H2,1H3/b22-20+
InChIKey
VAXXTFITBLZGBC-LSDHQDQOSA-N
Synonyms
586985-68-4
(4E)4(23dihydro14benzodioxin6yl(hydroxy)methylidene)1(6methyl13benzothiazol2yl)5(thiophen2yl)pyrrolidine23dione
(4E)4(23DIHYDRO14BENZODIOXIN6YL(HYDROXY)METHYLIDENE)1(6METHYL13BENZOTHIAZOL2YL)5THIOPHEN2YLPYRROLIDINE23DIONE
586985684
CC1=CC2=C(C=C1)N=C(S2)N3C(C(=C(C4=CC5=C(C=C4)OCCO5)O)C(=O)C3=O)C6=CC=CS6
Cc1ccc2c(c1)sc(n2)N1C(c2cccs2)C(=C(c2ccc3c(c2)OCCO3)O)C(=O)C1=O
InChI=1SC25H18N2O5S2c113461519(1113)3425(2615)2721(1832103318)20(23(29)24(27)30)22(28)14571617(1214)32983116h2710122128H89H21H3b2220+
MFCD05736140
ZINC000102890989
ZINC000102890992

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Available files

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