Vitas-M small molecule compound
3-[(3E)-4-(1,3-benzodioxol-5-yl)-2-oxobut-3-en-1-yl]-1-(3-fluorobenzyl)-3-hydroxy-1,3-dihydro-2H-indol-2-one
Catalog ID
STK273103
SMILES O=C(CC1(O)c2ccccc2N(C1=O)Cc1cccc(c1)F)/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 C26H20FNO5 MW 445.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H20FNO5/c27-19-5-3-4-18(12-19)15-28-22-7-2-1-6-21(22)26(31,25(28)30)14-20(29)10-8-17-9-11-23-24(13-17)33-16-32-23/h1-13,31H,14-16H2/b10-8+InChIKey
XRYGKQKUHCTVHK-CSKARUKUSA-NSynonyms
3((3E)4(13benzodioxol5yl)2oxobut3en1yl)1(3fluorobenzyl)3hydroxy13dihydro2Hindol2one
3((3E)4(2HBENZO(34D)13DIOXOLEN5YL)2OXOBUT3ENYL)1((3FLUOROPHENYL)METHYL)3HYDROXYINDOLIN2ONE
3((E)4(13BENZODIOXOL5YL)2OXOBUT3ENYL)1((3FLUOROPHENYL)METHYL)3HYDROXYINDOL2ONE
C1OC2=C(O1)C=C(C=C2)C=CC(=O)CC3(C4=CC=CC=C4N(C3=O)CC5=CC(=CC=C5)F)O
InChI=1SC26H20FNO5c271953418(1219)152822721621(22)26(3125(28)30)1420(29)108179112324(1317)33163223h11331H1416H2b108+
MFCD04042316
O=C(CC1(O)c2ccccc2N(C1=O)Cc1cccc(c1)F)C=Cc1ccc2c(c1)OCO2
ZINC000008927789
ZINC000008927791
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