Vitas-M small molecule compound
5-(1,3-benzodioxol-5-yl)-3-hydroxy-1-(2-hydroxyethyl)-4-[(2E)-3-phenylprop-2-enoyl]-1,5-dihydro-2H-pyrrol-2-one
Catalog ID
STL438092
SMILES OCCN1C(c2ccc3c(c2)OCO3)C(=C(C1=O)O)C(=O)/C=C/c1ccccc1
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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 C22H19NO6 MW 393.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H19NO6/c24-11-10-23-20(15-7-9-17-18(12-15)29-13-28-17)19(21(26)22(23)27)16(25)8-6-14-4-2-1-3-5-14/h1-9,12,20,24,26H,10-11,13H2/b8-6+InChIKey
VNKYYWXEQZHMKJ-SOFGYWHQSA-NSynonyms
2(13BENZODIOXOL5YL)4HYDROXY1(2HYDROXYETHYL)3((E)3PHENYLPROP2ENOYL)2HPYRROL5ONE
4((2E)3PHENYLPROP2ENOYL)5(2HBENZO(34D)13DIOXOLEN5YL)3HYDROXY1(2HYDROXYETHYL)3PYRROLIN2ONE
5(13benzodioxol5yl)3hydroxy1(2hydroxyethyl)4((2E)3phenylprop2enoyl)15dihydro2Hpyrrol2one
C1OC2=C(O1)C=C(C=C2)C3C(=C(C(=O)N3CCO)O)C(=O)C=CC4=CC=CC=C4
InChI=1SC22H19NO6c2411102320(15791718(1215)29132817)19(21(26)22(23)27)16(25)86144213514h1912202426H101113H2b86+
MFCD01872643
OCCN1C(c2ccc3c(c2)OCO3)C(=C(C1=O)O)C(=O)C=Cc1ccccc1
ZINC000003766441
ZINC000004635124
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