Vitas-M small molecule compound
3-[(3E)-4-(1,3-benzodioxol-5-yl)-2-oxobut-3-en-1-yl]-5-bromo-3-hydroxy-1-methyl-1,3-dihydro-2H-indol-2-one
Catalog ID
STK056160
SMILES O=C(CC1(O)c2cc(Br)ccc2N(C1=O)C)/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 C20H16BrNO5 MW 430.25 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H16BrNO5/c1-22-16-6-4-13(21)9-15(16)20(25,19(22)24)10-14(23)5-2-12-3-7-17-18(8-12)27-11-26-17/h2-9,25H,10-11H2,1H3/b5-2+InChIKey
YLSFTROZZYFGHZ-GORDUTHDSA-NSynonyms
356075-57-53((3E)4(13BENZODIOXOL5YL)2OXOBUT3EN1YL)5BROMO3HYDROXY1METHYL13DIHYDRO2HINDOL2ONE
3((3E)4(2HBENZO(34D)13DIOXOLAN5YL)2OXOBUT3ENYL)5BROMO3HYDROXY1METHYLINDOLIN2ONE
3((E)4(13BENZODIOXOL5YL)2OXOBUT3ENYL)5BROMO3HYDROXY1METHYLINDOL2ONE
356075575
CN1C2=C(C=C(C=C2)Br)C(C1=O)(CC(=O)C=CC3=CC4=C(C=C3)OCO4)O
InChI=1SC20H16BrNO5c122166413(21)915(16)20(2519(22)24)1014(23)5212371718(812)27112617h2925H1011H21H3b52+
MFCD02315121
O=C(CC1(O)c2cc(Br)ccc2N(C1=O)C)C=Cc1ccc2c(c1)OCO2
STK056160
ZINC000001126128
ZINC000001126132
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