Vitas-M small molecule compound
5-bromo-1-(2,5-dimethylbenzyl)-3-[(3E)-4-(furan-2-yl)-2-oxobut-3-en-1-yl]-3-hydroxy-1,3-dihydro-2H-indol-2-one
Catalog ID
STK273092
SMILES O=C(CC1(O)C(=O)N(c2c1cc(Br)cc2)Cc1cc(C)ccc1C)/C=C/c1ccco1
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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 C25H22BrNO4 MW 480.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H22BrNO4/c1-16-5-6-17(2)18(12-16)15-27-23-10-7-19(26)13-22(23)25(30,24(27)29)14-20(28)8-9-21-4-3-11-31-21/h3-13,30H,14-15H2,1-2H3/b9-8+InChIKey
NSLNJRDOWKMWCO-CMDGGOBGSA-NSynonyms
3((3E)4(2FURYL)2OXOBUT3ENYL)1((25DIMETHYLPHENYL)METHYL)5BROMO3HYDROXYINDOLIN2ONE
5BROMO1((25DIMETHYLPHENYL)METHYL)3((E)4(FURAN2YL)2OXOBUT3ENYL)3HYDROXYINDOL2ONE
5bromo1(25dimethylbenzyl)3((3E)4(furan2yl)2oxobut3en1yl)3hydroxy13dihydro2Hindol2one
5BROMO1(25DIMETHYLBENZYL)3(4(2FURYL)2OXO3BUTENYL)3HYDROXY13DIHYDRO2HINDOL2ONE
CC1=CC(=C(C=C1)C)CN2C3=C(C=C(C=C3)Br)C(C2=O)(CC(=O)C=CC4=CC=CO4)O
InChI=1SC25H22BrNO4c1165617(2)18(1216)15272310719(26)1322(23)25(3024(27)29)1420(28)892143113121h31330H1415H212H3b98+
MFCD04042281
O=C(CC1(O)C(=O)N(c2c1cc(Br)cc2)Cc1cc(C)ccc1C)C=Cc1ccco1
ZINC000008927728
ZINC000008927730
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