Vitas-M small molecule compound

(4E)-5-[4-(benzyloxy)-3-ethoxyphenyl]-1-[3-(dimethylamino)propyl]-4-[hydroxy(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]pyrrolidine-2,3-dione

Catalog ID
STL049733
SMILES CCOc1cc(ccc1OCc1ccccc1)C1/C(=C(/c2ccc3c(c2)CC(O3)C)\O)/C(=O)C(=O)N1CCCN(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 C34H38N2O6 MW 570.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H38N2O6/c1-5-40-29-20-24(12-15-28(29)41-21-23-10-7-6-8-11-23)31-30(33(38)34(39)36(31)17-9-16-35(3)4)32(37)25-13-14-27-26(19-25)18-22(2)42-27/h6-8,10-15,19-20,22,31,37H,5,9,16-18,21H2,1-4H3/b32-30+
InChIKey
MUPNEXMLSDCSTK-NHQGMKOOSA-N
Synonyms
893696-92-9
(4E)1(3(DIMETHYLAMINO)PROPYL)5(3ETHOXY4PHENYLMETHOXYPHENYL)4(HYDROXY(2METHYL23DIHYDRO1BENZOFURAN5YL)METHYLIDENE)PYRROLIDINE23DIONE
(4E)5(4(benzyloxy)3ethoxyphenyl)1(3(dimethylamino)propyl)4(hydroxy(2methyl23dihydro1benzofuran5yl)methylidene)pyrrolidine23dione
893696929
CCOC1=C(C=CC(=C1)C2C(=C(C3=CC4=C(C=C3)OC(C4)C)O)C(=O)C(=O)N2CCCN(C)C)OCC5=CC=CC=C5
CCOc1cc(ccc1OCc1ccccc1)C1C(=C(c2ccc3c(c2)CC(O3)C)O)C(=O)C(=O)N1CCCN(C)C
InChI=1SC34H38N2O6c1540292024(121528(29)412123107681123)3130(33(38)34(39)36(31)1791635(3)4)32(37)2513142726(1925)1822(2)4227h6810151920223137H59161821H214H3b3230+
MFCD05725843
ZINC000102887550
ZINC000102887556

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Available files

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