Vitas-M small molecule compound

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

Catalog ID
STK561780
SMILES COCCCN1C(=O)C(=O)/C(=C(\c2ccc3c(c2)CC(O3)C)/O)/C1c1cccc(c1)OCC=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 C27H29NO6 MW 463.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H29NO6/c1-4-12-33-21-8-5-7-18(16-21)24-23(26(30)27(31)28(24)11-6-13-32-3)25(29)19-9-10-22-20(15-19)14-17(2)34-22/h4-5,7-10,15-17,24,29H,1,6,11-14H2,2-3H3/b25-23+
InChIKey
STUCLNZQANABFV-WJTDDFOZSA-N
Synonyms

(4E)4(hydroxy(2methyl23dihydro1benzofuran5yl)methylidene)1(3methoxypropyl)5(3(prop2en1yloxy)phenyl)pyrrolidine23dione
(4E)4(HYDROXY(2METHYL23DIHYDRO1BENZOFURAN5YL)METHYLIDENE)1(3METHOXYPROPYL)5(3PROP2ENOXYPHENYL)PYRROLIDINE23DIONE
5(3(ALLYLOXY)PHENYL)3HYDROXY1(3METHOXYPROPYL)4((2METHYL23DIHYDRO1BENZOFURAN5YL)CARBONYL)15DIHYDRO2HPYRROL2ONE
CC1CC2=C(O1)C=CC(=C2)C(=C3C(N(C(=O)C3=O)CCCOC)C4=CC(=CC=C4)OCC=C)O
COCCCN1C(=O)C(=O)C(=C(c2ccc3c(c2)CC(O3)C)O)C1c1cccc(c1)OCC=C
InChI=1SC27H29NO6c1412332185718(1621)2423(26(30)27(31)28(24)11613323)25(29)199102220(1519)1417(2)3422h4571015172429H161114H223H3b2523+
MFCD04075630
ZINC000102506920
ZINC000102644616

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Available files

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