Vitas-M small molecule compound
(4E)-5-(3-butoxyphenyl)-4-[hydroxy(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]-1-(2-methoxyethyl)pyrrolidine-2,3-dione
Catalog ID
STL038287
SMILES CCCCOc1cccc(c1)C1/C(=C(/c2ccc3c(c2)CC(O3)C)\O)/C(=O)C(=O)N1CCOC
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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 C27H31NO6 MW 465.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H31NO6/c1-4-5-12-33-21-8-6-7-18(16-21)24-23(26(30)27(31)28(24)11-13-32-3)25(29)19-9-10-22-20(15-19)14-17(2)34-22/h6-10,15-17,24,29H,4-5,11-14H2,1-3H3/b25-23+InChIKey
NNUOVDOYJUQADF-WJTDDFOZSA-NSynonyms
(4E)5(3butoxyphenyl)4(hydroxy(2methyl23dihydro1benzofuran5yl)methylidene)1(2methoxyethyl)pyrrolidine23dione
CCCCOC1=CC=CC(=C1)C2C(=C(C3=CC4=C(C=C3)OC(C4)C)O)C(=O)C(=O)N2CCOC
CCCCOc1cccc(c1)C1C(=C(c2ccc3c(c2)CC(O3)C)O)C(=O)C(=O)N1CCOC
InChI=1SC27H31NO6c14512332186718(1621)2423(26(30)27(31)28(24)1113323)25(29)199102220(1519)1417(2)3422h61015172429H451114H213H3b2523+
MFCD04081739
ZINC000102861165
ZINC000102861173
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