Vitas-M small molecule compound
3-[(3E)-4-(1,3-benzodioxol-5-yl)-2-oxobut-3-en-1-yl]-5-bromo-1-butyl-3-hydroxy-1,3-dihydro-2H-indol-2-one
Catalog ID
STK214581
SMILES CCCCN1c2ccc(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 C23H22BrNO5 MW 472.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H22BrNO5/c1-2-3-10-25-19-8-6-16(24)12-18(19)23(28,22(25)27)13-17(26)7-4-15-5-9-20-21(11-15)30-14-29-20/h4-9,11-12,28H,2-3,10,13-14H2,1H3/b7-4+InChIKey
HINZWPKCIMTLIX-QPJJXVBHSA-NSynonyms
688040-19-93((3E)4(13BENZODIOXOL5YL)2OXOBUT3EN1YL)5BROMO1BUTYL3HYDROXY13DIHYDRO2HINDOL2ONE
3((3E)4(2HBENZO(34D)13DIOXOLAN5YL)2OXOBUT3ENYL)5BROMO1BUTYL3HYDROXYINDOLIN2ONE
3((E)4(13BENZODIOXOL5YL)2OXOBUT3ENYL)5BROMO1BUTYL3HYDROXYINDOL2ONE
688040199
CCCCN1C2=C(C=C(C=C2)Br)C(C1=O)(CC(=O)C=CC3=CC4=C(C=C3)OCO4)O
CCCCN1c2ccc(cc2C(C1=O)(O)CC(=O)C=Cc1ccc2c(c1)OCO2)Br
InChI=1SC23H22BrNO5c1231025198616(24)1218(19)23(2822(25)27)1317(26)7415592021(1115)30142920h49111228H23101314H21H3b74+
MFCD03835926
ZINC000010059118
ZINC000010059119
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