Vitas-M small molecule compound
(4E)-5-(4-butoxyphenyl)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-1-(2-phenylethyl)pyrrolidine-2,3-dione
Catalog ID
STL040804
SMILES CCCCOc1ccc(cc1)C1/C(=C(/c2ccc3c(c2)OCCO3)\O)/C(=O)C(=O)N1CCc1ccccc1
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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 C31H31NO6 MW 513.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H31NO6/c1-2-3-17-36-24-12-9-22(10-13-24)28-27(29(33)23-11-14-25-26(20-23)38-19-18-37-25)30(34)31(35)32(28)16-15-21-7-5-4-6-8-21/h4-14,20,28,33H,2-3,15-19H2,1H3/b29-27+InChIKey
DIKMFJNLYNZYGU-ORIPQNMZSA-NSynonyms
(4E)5(4butoxyphenyl)4(23dihydro14benzodioxin6yl(hydroxy)methylidene)1(2phenylethyl)pyrrolidine23dione
(4E)5(4BUTOXYPHENYL)4(23DIHYDRO14BENZODIOXIN6YL(HYDROXY)METHYLIDENE)1PHENETHYLPYRROLIDINE23DIONE
575463422
CCCCOC1=CC=C(C=C1)C2C(=C(C3=CC4=C(C=C3)OCCO4)O)C(=O)C(=O)N2CCC5=CC=CC=C5
CCCCOc1ccc(cc1)C1C(=C(c2ccc3c(c2)OCCO3)O)C(=O)C(=O)N1CCc1ccccc1
InChI=1SC31H31NO6c12317362412922(101324)2827(29(33)2311142526(2023)3819183725)30(34)31(35)32(28)1615217546821h414202833H231519H21H3b2927+
MFCD05736855
ZINC000102867555
ZINC000102867557
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