Vitas-M small molecule compound
8-[(2E)-2-{5-bromo-3-oxo-1-[(2E)-3-phenylprop-2-en-1-yl]-1,3-dihydro-2H-indol-2-ylidene}hydrazinyl]adenosine
Catalog ID
STL528720
SMILES OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1c(N/N=C\2/N(C/C=C/c3ccccc3)c3c(C2=O)cc(cc3)Br)nc2c1ncnc2N
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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 C27H25BrN8O5 MW 621.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H25BrN8O5/c28-15-8-9-17-16(11-15)20(38)25(35(17)10-4-7-14-5-2-1-3-6-14)33-34-27-32-19-23(29)30-13-31-24(19)36(27)26-22(40)21(39)18(12-37)41-26/h1-9,11,13,18,21-22,26,37,39-40H,10,12H2,(H,32,34)(H2,29,30,31)/b7-4+,33-25+/t18-,21-,22-,26-/m1/s1InChIKey
BITFPOWDSFCEJB-JZFPQTHASA-NSynonyms
(Z)2(2(6amino9((2R3R4S5R)34dihydroxy5(hydroxymethyl)tetrahydrofuran2yl)9Hpurin8yl)hydrazono)5bromo1cinnamylindolin3one
8((2E)2(5bromo3oxo1((2E)3phenylprop2en1yl)13dihydro2Hindol2ylidene)hydrazinyl)adenosine
InChI=1SC27H25BrN8O5c2815891716(1115)20(38)25(35(17)1047145213614)333427321923(29)30133124(19)36(27)2622(40)21(39)18(1237)4126h19111318212226373940H1012H2(H3234)(H2293031)b74+3325+t18212226m1s1
MFCD05729755
OC(C@H)1O(C@H)((C@@H)((C@@H)1O)O)n1c(NN=C2N(CC=Cc3ccccc3)c3c(C2=O)cc(cc3)Br)nc2c1ncnc2N
ZINC000079212807
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