Vitas-M small molecule compound
3-[(3E)-4-(1,3-benzodioxol-5-yl)-2-oxobut-3-en-1-yl]-1-benzyl-3-hydroxy-1,3-dihydro-2H-indol-2-one
Catalog ID
STK214364
SMILES O=C(CC1(O)c2ccccc2N(C1=O)Cc1ccccc1)/C=C/c1ccc2c(c1)OCO2
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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 C26H21NO5 MW 427.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H21NO5/c28-20(12-10-18-11-13-23-24(14-18)32-17-31-23)15-26(30)21-8-4-5-9-22(21)27(25(26)29)16-19-6-2-1-3-7-19/h1-14,30H,15-17H2/b12-10+InChIKey
AAJMWIHPPOHERT-ZRDIBKRKSA-NSynonyms
3((3E)4(13BENZODIOXOL5YL)2OXOBUT3EN1YL)1BENZYL3HYDROXY13DIHYDRO2HINDOL2ONE
3((3E)4(2HBENZO(34D)13DIOXOLAN5YL)2OXOBUT3ENYL)3HYDROXY1BENZYLINDOLIN2ONE
3((E)4(13BENZODIOXOL5YL)2OXOBUT3ENYL)1BENZYL3HYDROXYINDOL2ONE
3(4(13BENZODIOXOL5YL)2OXO3BUTENYL)1BENZYL3HYDROXY13DIHYDRO2HINDOL2ONE
C1OC2=C(O1)C=C(C=C2)C=CC(=O)CC3(C4=CC=CC=C4N(C3=O)CC5=CC=CC=C5)O
InChI=1SC26H21NO5c2820(12101811132324(1418)32173123)1526(30)21845922(21)27(25(26)29)16196213719h11430H1517H2b1210+
MFCD02315114
O=C(CC1(O)c2ccccc2N(C1=O)Cc1ccccc1)C=Cc1ccc2c(c1)OCO2
ZINC000001147217
ZINC000001147222
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