Vitas-M small molecule compound

(4E)-4-[hydroxy(4-methoxy-3-methylphenyl)methylidene]-1-(6-methyl-1,3-benzothiazol-2-yl)-5-[4-(prop-2-en-1-yloxy)phenyl]pyrrolidine-2,3-dione

Catalog ID
STK602873
SMILES C=CCOc1ccc(cc1)C1/C(=C(/c2ccc(c(c2)C)OC)\O)/C(=O)C(=O)N1c1sc2c(n1)ccc(c2)C

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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 C30H26N2O5S MW 526.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H26N2O5S/c1-5-14-37-21-10-7-19(8-11-21)26-25(27(33)20-9-13-23(36-4)18(3)16-20)28(34)29(35)32(26)30-31-22-12-6-17(2)15-24(22)38-30/h5-13,15-16,26,33H,1,14H2,2-4H3/b27-25+
InChIKey
JCSAGJQFPOLGRT-IMVLJIQESA-N
Synonyms
618417-34-8
(4E)4(hydroxy(4methoxy3methylphenyl)methylidene)1(6methyl13benzothiazol2yl)5(4(prop2en1yloxy)phenyl)pyrrolidine23dione
(4E)4(HYDROXY(4METHOXY3METHYLPHENYL)METHYLIDENE)1(6METHYL13BENZOTHIAZOL2YL)5(4PROP2ENOXYPHENYL)PYRROLIDINE23DIONE
3HYDROXY4((4METHOXY3METHYLPHENYL)CARBONYL)1(6METHYLBENZOTHIAZOL2YL)5(4PROP2ENYLOXYPHENYL)3PYRROLIN2ONE
618417348
C=CCOc1ccc(cc1)C1C(=C(c2ccc(c(c2)C)OC)O)C(=O)C(=O)N1c1sc2c(n1)ccc(c2)C
CC1=CC2=C(C=C1)N=C(S2)N3C(C(=C(C4=CC(=C(C=C4)OC)C)O)C(=O)C3=O)C5=CC=C(C=C5)OCC=C
InChI=1SC30H26N2O5Sc1514372110719(81121)2625(27(33)2091323(364)18(3)1620)28(34)29(35)32(26)30312212617(2)1524(22)3830h51315162633H114H224H3b2725+
MFCD08736103
ZINC000101293850
ZINC000101293852

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Available files

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