Vitas-M small molecule compound

(4E)-4-[hydroxy(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]-1-(2-phenylethyl)-5-[4-(prop-2-en-1-yloxy)phenyl]pyrrolidine-2,3-dione

Catalog ID
STK566690
SMILES C=CCOc1ccc(cc1)C1/C(=C(/c2ccc3c(c2)CC(O3)C)\O)/C(=O)C(=O)N1CCc1ccccc1

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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 C31H29NO5 MW 495.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H29NO5/c1-3-17-36-25-12-9-22(10-13-25)28-27(29(33)23-11-14-26-24(19-23)18-20(2)37-26)30(34)31(35)32(28)16-15-21-7-5-4-6-8-21/h3-14,19-20,28,33H,1,15-18H2,2H3/b29-27+
InChIKey
PLMYKNHIFPIPSS-ORIPQNMZSA-N
Synonyms
844447-31-0
(4E)4(hydroxy(2methyl23dihydro1benzofuran5yl)methylidene)1(2phenylethyl)5(4(prop2en1yloxy)phenyl)pyrrolidine23dione
(4E)4(hydroxy(2methyl23dihydro1benzofuran5yl)methylidene)1(2phenylethyl)5(4prop2enoxyphenyl)pyrrolidine23dione
(4E)4(HYDROXY(2METHYL23DIHYDRO1BENZOFURAN5YL)METHYLIDENE)1PHENETHYL5(4PROP2ENOXYPHENYL)PYRROLIDINE23DIONE
844447310
C=CCOc1ccc(cc1)C1C(=C(c2ccc3c(c2)CC(O3)C)O)C(=O)C(=O)N1CCc1ccccc1
CC1CC2=C(O1)C=CC(=C2)C(=C3C(N(C(=O)C3=O)CCC4=CC=CC=C4)C5=CC=C(C=C5)OCC=C)O
InChI=1SC31H29NO5c1317362512922(101325)2827(29(33)2311142624(1923)1820(2)3726)30(34)31(35)32(28)1615217546821h31419202833H11518H22H3b2927+
MFCD04079842
ZINC000101294160
ZINC000101294170

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Available files

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