Vitas-M small molecule compound
(4E)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-1-(2-methoxyethyl)-5-[3-(3-methylbutoxy)phenyl]pyrrolidine-2,3-dione
Catalog ID
STL054585
SMILES COCCN1C(=O)C(=O)/C(=C(\c2ccc3c(c2)OCCO3)/O)/C1c1cccc(c1)OCCC(C)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 C27H31NO7 MW 481.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H31NO7/c1-17(2)9-11-33-20-6-4-5-18(15-20)24-23(26(30)27(31)28(24)10-12-32-3)25(29)19-7-8-21-22(16-19)35-14-13-34-21/h4-8,15-17,24,29H,9-14H2,1-3H3/b25-23+InChIKey
PGMBKXCCKAWTLP-WJTDDFOZSA-NSynonyms
(4E)4(23dihydro14benzodioxin6yl(hydroxy)methylidene)1(2methoxyethyl)5(3(3methylbutoxy)phenyl)pyrrolidine23dione
4(23DIHYDRO14BENZODIOXIN6YLCARBONYL)3HYDROXY5(3(ISOPENTYLOXY)PHENYL)1(2METHOXYETHYL)15DIHYDRO2HPYRROL2ONE
CC(C)CCOC1=CC=CC(=C1)C2C(=C(C3=CC4=C(C=C3)OCCO4)O)C(=O)C(=O)N2CCOC
COCCN1C(=O)C(=O)C(=C(c2ccc3c(c2)OCCO3)O)C1c1cccc(c1)OCCC(C)C
InChI=1SC27H31NO7c117(2)911332064518(1520)2423(26(30)27(31)28(24)1012323)25(29)19782122(1619)3514133421h4815172429H914H213H3b2523+
MFCD05726569
ZINC000102892894
ZINC000102892897
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