Vitas-M small molecule compound
8-[(2E)-2-(5-bromo-2-oxo-1,2-dihydro-3H-indol-3-ylidene)hydrazinyl]-7-[(2E)-but-2-en-1-yl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Catalog ID
STK700845
SMILES C/C=C/Cn1c(N/N=C\2/C(=O)Nc3c2cc(Br)cc3)nc2c1c(=O)[nH]c(=O)n2C
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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 C18H16BrN7O3 MW 458.27 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H16BrN7O3/c1-3-4-7-26-13-14(25(2)18(29)22-16(13)28)21-17(26)24-23-12-10-8-9(19)5-6-11(10)20-15(12)27/h3-6,8H,7H2,1-2H3,(H,21,24)(H,20,23,27)(H,22,28,29)/b4-3+InChIKey
KQAKZJKICSPYLP-ONEGZZNKSA-NSynonyms
7((2E)BUT2ENYL)8(((5BROMO2OXO(1HBENZO(D)AZOLIN3YLIDENE))AZAMETHYL)AMINO)3METHYL137TRIHYDROPURINE26DIONE
8((2E)2(5bromo2oxo12dihydro3Hindol3ylidene)hydrazinyl)7((2E)but2en1yl)3methyl37dihydro1Hpurine26dione
8((E)2(5bromo2oxoindolin3ylidene)hydrazinyl)7((E)but2en1yl)3methyl1Hpurine26(3H7H)dione
8(2(5BROMO2OXOINDOL3YL)HYDRAZINYL)7((E)BUT2ENYL)3METHYLPURINE26DIONE
CC=CCn1c(NN=C2C(=O)Nc3c2cc(Br)cc3)nc2c1c(=O)(nH)c(=O)n2C
CC=CCN1C2=C(N=C1NNC3=C4C=C(C=CC4=NC3=O)Br)N(C(=O)NC2=O)C
InChI=1SC18H16BrN7O3c1347261314(25(2)18(29)2216(13)28)2117(26)2423121089(19)5611(10)2015(12)27h368H7H212H3(H2124)(H202327)(H222829)b43+
MFCD01553522
ZINC000008973390
ZINC08973390
ZINC8973390
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.