Vitas-M small molecule compound
(4E)-1-benzyl-5-(3-ethoxyphenyl)-4-[hydroxy(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]pyrrolidine-2,3-dione
Catalog ID
STK566714
SMILES CCOc1cccc(c1)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 C29H27NO5 MW 469.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H27NO5/c1-3-34-23-11-7-10-20(16-23)26-25(27(31)21-12-13-24-22(15-21)14-18(2)35-24)28(32)29(33)30(26)17-19-8-5-4-6-9-19/h4-13,15-16,18,26,31H,3,14,17H2,1-2H3/b27-25+InChIKey
JTPZCYABQWLUPO-IMVLJIQESA-NSynonyms
(4E)1benzyl5(3ethoxyphenyl)4(hydroxy(2methyl23dihydro1benzofuran5yl)methylidene)pyrrolidine23dione
CCOC1=CC=CC(=C1)C2C(=C(C3=CC4=C(C=C3)OC(C4)C)O)C(=O)C(=O)N2CC5=CC=CC=C5
CCOc1cccc(c1)C1C(=C(c2ccc3c(c2)CC(O3)C)O)C(=O)C(=O)N1Cc1ccccc1
InChI=1SC29H27NO5c1334231171020(1623)2625(27(31)2112132422(1521)1418(2)3524)28(32)29(33)30(26)17198546919h4131516182631H31417H212H3b2725+
MFCD04073572
ZINC000102543478
ZINC000102650387
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