Vitas-M small molecule compound

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

Catalog ID
STL046698
SMILES CCOc1cc(ccc1OCCC(C)C)C1/C(=C(/c2ccc3c(c2)CC(O3)C)\O)/C(=O)C(=O)N1Cc1ccccc1

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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 C34H37NO6 MW 555.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H37NO6/c1-5-39-29-19-24(11-14-28(29)40-16-15-21(2)3)31-30(32(36)25-12-13-27-26(18-25)17-22(4)41-27)33(37)34(38)35(31)20-23-9-7-6-8-10-23/h6-14,18-19,21-22,31,36H,5,15-17,20H2,1-4H3/b32-30+
InChIKey
VDAIJGSCNPEUPZ-NHQGMKOOSA-N
Synonyms

(4E)1benzyl5(3ethoxy4(3methylbutoxy)phenyl)4(hydroxy(2methyl23dihydro1benzofuran5yl)methylidene)pyrrolidine23dione
CCOC1=C(C=CC(=C1)C2C(=C(C3=CC4=C(C=C3)OC(C4)C)O)C(=O)C(=O)N2CC5=CC=CC=C5)OCCC(C)C
CCOc1cc(ccc1OCCC(C)C)C1C(=C(c2ccc3c(c2)CC(O3)C)O)C(=O)C(=O)N1Cc1ccccc1
InChI=1SC34H37NO6c1539291924(111428(29)40161521(2)3)3130(32(36)2512132726(1825)1722(4)4127)33(37)34(38)35(31)202397681023h614181921223136H5151720H214H3b3230+
MFCD04074439
ZINC000102880208
ZINC000102880217

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Available files

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