Vitas-M small molecule compound

(4E)-1-benzyl-5-[3-(benzyloxy)phenyl]-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]pyrrolidine-2,3-dione

Catalog ID
STL054484
SMILES O/C(=C\1/C(=O)C(=O)N(C1c1cccc(c1)OCc1ccccc1)Cc1ccccc1)/c1ccc2c(c1)OCCO2

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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 C33H27NO6 MW 533.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H27NO6/c35-31(25-14-15-27-28(19-25)39-17-16-38-27)29-30(34(33(37)32(29)36)20-22-8-3-1-4-9-22)24-12-7-13-26(18-24)40-21-23-10-5-2-6-11-23/h1-15,18-19,30,35H,16-17,20-21H2/b31-29+
InChIKey
GSKKMTYYJKFOOP-OWWNRXNESA-N
Synonyms
618856-49-8
(4E)1BENZYL4(23DIHYDRO14BENZODIOXIN6YL(HYDROXY)METHYLIDENE)5(3PHENYLMETHOXYPHENYL)PYRROLIDINE23DIONE
(4E)1benzyl5(3(benzyloxy)phenyl)4(23dihydro14benzodioxin6yl(hydroxy)methylidene)pyrrolidine23dione
618856498
C1COC2=C(O1)C=CC(=C2)C(=C3C(N(C(=O)C3=O)CC4=CC=CC=C4)C5=CC(=CC=C5)OCC6=CC=CC=C6)O
InChI=1SC33H27NO6c3531(2514152728(1925)3917163827)2930(34(33(37)32(29)36)20228314922)241271326(1824)402123105261123h11518193035H16172021H2b3129+
MFCD05732977
OC(=C1C(=O)C(=O)N(C1c1cccc(c1)OCc1ccccc1)Cc1ccccc1)c1ccc2c(c1)OCCO2
ZINC000102892259
ZINC000102892262

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Available files

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