Vitas-M small molecule compound
5-bromo-3-hydroxy-3-[2-(4-methoxy-3-nitrophenyl)-2-oxoethyl]-1-(prop-2-yn-1-yl)-1,3-dihydro-2H-indol-2-one
Catalog ID
STK214627
SMILES C#CCN1c2ccc(cc2C(C1=O)(O)CC(=O)c1ccc(c(c1)[N+](=O)[O-])OC)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 C20H15BrN2O6 MW 459.25 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H15BrN2O6/c1-3-8-22-15-6-5-13(21)10-14(15)20(26,19(22)25)11-17(24)12-4-7-18(29-2)16(9-12)23(27)28/h1,4-7,9-10,26H,8,11H2,2H3InChIKey
KJPZWIUJSAIWDC-UHFFFAOYSA-NSynonyms
5BROMO3HYDROXY3(2(4METHOXY3NITROPHENYL)2OXOETHYL)1(PROP2YN1YL)13DIHYDRO2HINDOL2ONE
5BROMO3HYDROXY3(2(4METHOXY3NITROPHENYL)2OXOETHYL)1PROP2YNYLINDOL2ONE
5BROMO3HYDROXY3(2(4METHOXY3NITROPHENYL)2OXOETHYL)1PROP2YNYLINDOLIN2ONE
C#CCN1c2ccc(cc2C(C1=O)(O)CC(=O)c1ccc(c(c1)(N+)(=O)(O))OC)Br
COC1=C(C=C(C=C1)C(=O)CC2(C3=C(C=CC(=C3)Br)N(C2=O)CC#C)O)(N+)(=O)(O)
InChI=1SC20H15BrN2O6c13822156513(21)1014(15)20(2619(22)25)1117(24)124718(292)16(912)23(27)28h14791026H811H22H3
MFCD03837065
ZINC000008920932
ZINC000008920939
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