Vitas-M small molecule compound

(4E)-4-[(4-butoxy-3-methylphenyl)(hydroxy)methylidene]-5-(4-hydroxy-3-methoxyphenyl)-1-(3-methoxypropyl)pyrrolidine-2,3-dione

Catalog ID
STK562003
SMILES CCCCOc1ccc(cc1C)/C(=C/1\C(=O)C(=O)N(C1c1ccc(c(c1)OC)O)CCCOC)/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 C27H33NO7 MW 483.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H33NO7/c1-5-6-14-35-21-11-9-19(15-17(21)2)25(30)23-24(18-8-10-20(29)22(16-18)34-4)28(12-7-13-33-3)27(32)26(23)31/h8-11,15-16,24,29-30H,5-7,12-14H2,1-4H3/b25-23+
InChIKey
VWEHFOXYWANEJV-WJTDDFOZSA-N
Synonyms
488803-55-0
(4E)4((4butoxy3methylphenyl)(hydroxy)methylidene)5(4hydroxy3methoxyphenyl)1(3methoxypropyl)pyrrolidine23dione
(4E)4((4BUTOXY3METHYLPHENYL)HYDROXYMETHYLIDENE)5(4HYDROXY3METHOXYPHENYL)1(3METHOXYPROPYL)PYRROLIDINE23DIONE
4(4BUTOXY3METHYLBENZOYL)3HYDROXY5(4HYDROXY3METHOXYPHENYL)1(3METHOXYPROPYL)15DIHYDRO2HPYRROL2ONE
488803550
CCCCOC1=C(C=C(C=C1)C(=C2C(N(C(=O)C2=O)CCCOC)C3=CC(=C(C=C3)O)OC)O)C
CCCCOc1ccc(cc1C)C(=C1C(=O)C(=O)N(C1c1ccc(c(c1)OC)O)CCCOC)O
InChI=1SC27H33NO7c15614352111919(1517(21)2)25(30)2324(1881020(29)22(1618)344)28(12713333)27(32)26(23)31h8111516242930H571214H214H3b2523+
MFCD03804342
ZINC000102508876
ZINC000102508883

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.