Vitas-M small molecule compound
3-[(3E)-4-(1,3-benzodioxol-5-yl)-2-oxobut-3-en-1-yl]-5-bromo-1-ethyl-3-hydroxy-1,3-dihydro-2H-indol-2-one
Catalog ID
STK216920
SMILES CCN1c2ccc(cc2C(C1=O)(O)CC(=O)/C=C/c1ccc2c(c1)OCO2)Br
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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 C21H18BrNO5 MW 444.28 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18BrNO5/c1-2-23-17-7-5-14(22)10-16(17)21(26,20(23)25)11-15(24)6-3-13-4-8-18-19(9-13)28-12-27-18/h3-10,26H,2,11-12H2,1H3/b6-3+InChIKey
CANRHKOBTYKTKM-ZZXKWVIFSA-NSynonyms
3((3E)4(13benzodioxol5yl)2oxobut3en1yl)5bromo1ethyl3hydroxy13dihydro2Hindol2one
3((3E)4(2HBENZO(34D)13DIOXOLEN5YL)2OXOBUT3ENYL)5BROMO1ETHYL3HYDROXYINDOLIN2ONE
3((E)4(13BENZODIOXOL5YL)2OXOBUT3ENYL)5BROMO1ETHYL3HYDROXYINDOL2ONE
3(4(13BENZODIOXOL5YL)2OXO3BUTENYL)5BROMO1ETHYL3HYDROXY13DIHYDRO2HINDOL2ONE
CCN1C2=C(C=C(C=C2)Br)C(C1=O)(CC(=O)C=CC3=CC4=C(C=C3)OCO4)O
CCN1c2ccc(cc2C(C1=O)(O)CC(=O)C=Cc1ccc2c(c1)OCO2)Br
InChI=1SC21H18BrNO5c1223177514(22)1016(17)21(2620(23)25)1115(24)6313481819(913)28122718h31026H21112H21H3b63+
MFCD03837405
ZINC000008921845
ZINC000008921849
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