Vitas-M small molecule compound
(4E)-1-benzyl-5-(3-ethoxy-4-hydroxyphenyl)-4-[hydroxy(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]pyrrolidine-2,3-dione
Catalog ID
STL046816
SMILES CCOc1cc(ccc1O)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 C29H27NO6 MW 485.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H27NO6/c1-3-35-24-15-19(9-11-22(24)31)26-25(27(32)20-10-12-23-21(14-20)13-17(2)36-23)28(33)29(34)30(26)16-18-7-5-4-6-8-18/h4-12,14-15,17,26,31-32H,3,13,16H2,1-2H3/b27-25+InChIKey
QNPMWDMEWQAQPR-IMVLJIQESA-NSynonyms
(4E)1benzyl5(3ethoxy4hydroxyphenyl)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)O
CCOc1cc(ccc1O)C1C(=C(c2ccc3c(c2)CC(O3)C)O)C(=O)C(=O)N1Cc1ccccc1
InChI=1SC29H27NO6c1335241519(91122(24)31)2625(27(32)2010122321(1420)1317(2)3623)28(33)29(34)30(26)16187546818h412141517263132H31316H212H3b2725+
MFCD04072069
ZINC000102882024
ZINC000102882035
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