Vitas-M small molecule compound

(4E)-1-[3-(dimethylamino)propyl]-5-(3-ethoxy-4-hydroxyphenyl)-4-(hydroxy{4-[(3-methylbenzyl)oxy]phenyl}methylidene)pyrrolidine-2,3-dione

Catalog ID
STK629886
SMILES CCOc1cc(ccc1O)C1N(CCCN(C)C)C(=O)C(=O)/C/1=C(\c1ccc(cc1)OCc1cccc(c1)C)/O

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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 C32H36N2O6 MW 544.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H36N2O6/c1-5-39-27-19-24(12-15-26(27)35)29-28(31(37)32(38)34(29)17-7-16-33(3)4)30(36)23-10-13-25(14-11-23)40-20-22-9-6-8-21(2)18-22/h6,8-15,18-19,29,35-36H,5,7,16-17,20H2,1-4H3/b30-28+
InChIKey
PKJRHRMBHCDJDU-SJCQXOIGSA-N
Synonyms
836649-69-5
(4E)1(3(dimethylamino)propyl)5(3ethoxy4hydroxyphenyl)4(hydroxy(4((3methylbenzyl)oxy)phenyl)methylidene)pyrrolidine23dione
(4E)1(3(DIMETHYLAMINO)PROPYL)5(3ETHOXY4HYDROXYPHENYL)4(HYDROXY(4((3METHYLPHENYL)METHOXY)PHENYL)METHYLIDENE)PYRROLIDINE23DIONE
836649695
CCOC1=C(C=CC(=C1)C2C(=C(C3=CC=C(C=C3)OCC4=CC=CC(=C4)C)O)C(=O)C(=O)N2CCCN(C)C)O
CCOc1cc(ccc1O)C1N(CCCN(C)C)C(=O)C(=O)C1=C(c1ccc(cc1)OCc1cccc(c1)C)O
InChI=1SC32H36N2O6c1539271924(121526(27)35)2928(31(37)32(38)34(29)1771633(3)4)30(36)23101325(141123)40202296821(2)1822h68151819293536H57161720H214H3b3028+
MFCD09789590
ZINC000102733640
ZINC000102733642

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Available files

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