Vitas-M small molecule compound
3-[(3E)-4-(1,3-benzodioxol-5-yl)-2-oxobut-3-en-1-yl]-5-bromo-3-hydroxy-1,3-dihydro-2H-indol-2-one
Catalog ID
STK057670
SMILES O=C(CC1(O)C(=O)Nc2c1cc(Br)cc2)/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 C19H14BrNO5 MW 416.23 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H14BrNO5/c20-12-3-5-15-14(8-12)19(24,18(23)21-15)9-13(22)4-1-11-2-6-16-17(7-11)26-10-25-16/h1-8,24H,9-10H2,(H,21,23)/b4-1+InChIKey
CLMXZXGFBVUPER-DAFODLJHSA-NSynonyms
(3E)4(13BENZODIOXOL5YL)1(5BROMO23DIHYDROXY3HINDOL3YL)BUT3EN2ONE
(Z)3(4(benzo(d)(13)dioxol5yl)2oxobut3en1yl)5bromo3hydroxyindolin2one
3((3E)4(13BENZODIOXOL5YL)2OXOBUT3EN1YL)5BROMO3HYDROXY13DIHYDRO2HINDOL2ONE
3((E)4(13BENZODIOXOL5YL)2OXOBUT3ENYL)5BROMO3HYDROXY1HINDOL2ONE
C1OC2=C(O1)C=C(C=C2)C=CC(=O)CC3(C4=C(C=CC(=C4)Br)NC3=O)O
InChI=1SC19H14BrNO5c2012351514(812)19(2418(23)2115)913(22)4111261617(711)26102516h1824H910H2(H2123)b41+
MFCD08051394
O=C(CC1(O)C(=O)Nc2c1cc(Br)cc2)C=Cc1ccc2c(c1)OCO2
STK057670
ZINC000002314617
ZINC000013896015
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