Vitas-M small molecule compound
5-bromo-3-[(3E)-4-(furan-2-yl)-2-oxobut-3-en-1-yl]-3-hydroxy-1-[2-methyl-5-(propan-2-yl)benzyl]-1,3-dihydro-2H-indol-2-one
Catalog ID
STK273099
SMILES O=C(CC1(O)c2cc(Br)ccc2N(C1=O)Cc1cc(ccc1C)C(C)C)/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 C27H26BrNO4 MW 508.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H26BrNO4/c1-17(2)19-7-6-18(3)20(13-19)16-29-25-11-8-21(28)14-24(25)27(32,26(29)31)15-22(30)9-10-23-5-4-12-33-23/h4-14,17,32H,15-16H2,1-3H3/b10-9+InChIKey
ZPADWLPRESLLSX-MDZDMXLPSA-NSynonyms
3((3E)4(2FURYL)2OXOBUT3ENYL)5BROMO3HYDROXY1((2METHYL5(METHYLETHYL)PHENYL)METHYL)INDOLIN2ONE
5bromo3((3E)4(furan2yl)2oxobut3en1yl)3hydroxy1(2methyl5(propan2yl)benzyl)13dihydro2Hindol2one
5BROMO3((E)4(FURAN2YL)2OXOBUT3ENYL)3HYDROXY1((2METHYL5PROPAN2YLPHENYL)METHYL)INDOL2ONE
CC1=C(C=C(C=C1)C(C)C)CN2C3=C(C=C(C=C3)Br)C(C2=O)(CC(=O)C=CC4=CC=CO4)O
InChI=1SC27H26BrNO4c117(2)197618(3)20(1319)16292511821(28)1424(25)27(3226(29)31)1522(30)9102354123323h4141732H1516H213H3b109+
MFCD05661473
O=C(CC1(O)c2cc(Br)ccc2N(C1=O)Cc1cc(ccc1C)C(C)C)C=Cc1ccco1
ZINC000009614548
ZINC000009614549
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