Vitas-M small molecule compound

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

Catalog ID
STL045042
SMILES CC(CCOc1cccc(c1)C1/C(=C(/c2ccc3c(c2)CC(O3)C)\O)/C(=O)C(=O)N1CCc1ccccc1)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 C33H35NO5 MW 525.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H35NO5/c1-21(2)15-17-38-27-11-7-10-24(20-27)30-29(31(35)25-12-13-28-26(19-25)18-22(3)39-28)32(36)33(37)34(30)16-14-23-8-5-4-6-9-23/h4-13,19-22,30,35H,14-18H2,1-3H3/b31-29+
InChIKey
HTCUYWYBNIZESF-OWWNRXNESA-N
Synonyms
846594-19-2
(4E)4(hydroxy(2methyl23dihydro1benzofuran5yl)methylidene)5(3(3methylbutoxy)phenyl)1(2phenylethyl)pyrrolidine23dione
(4E)4(HYDROXY(2METHYL23DIHYDRO1BENZOFURAN5YL)METHYLIDENE)5(3(3METHYLBUTOXY)PHENYL)1PHENETHYLPYRROLIDINE23DIONE
846594192
CC(CCOc1cccc(c1)C1C(=C(c2ccc3c(c2)CC(O3)C)O)C(=O)C(=O)N1CCc1ccccc1)C
CC1CC2=C(O1)C=CC(=C2)C(=C3C(N(C(=O)C3=O)CCC4=CC=CC=C4)C5=CC(=CC=C5)OCCC(C)C)O
InChI=1SC33H35NO5c121(2)151738271171024(2027)3029(31(35)2512132826(1925)1822(3)3928)32(36)33(37)34(30)1614238546923h41319223035H1418H213H3b3129+
MFCD04074768
ZINC000102076439
ZINC000102076455

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Available files

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