Vitas-M small molecule compound
8-{(2E)-2-[(2Z)-2-bromo-3-phenylprop-2-en-1-ylidene]hydrazinyl}-1,3-dimethyl-7-(2-methylprop-2-en-1-yl)-3,7-dihydro-1H-purine-2,6-dione
Catalog ID
STK535879
SMILES CC(=C)Cn1c(N/N=C/C(=C/c2ccccc2)/Br)nc2c1c(=O)n(c(=O)n2C)C
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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 C20H21BrN6O2 MW 457.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H21BrN6O2/c1-13(2)12-27-16-17(25(3)20(29)26(4)18(16)28)23-19(27)24-22-11-15(21)10-14-8-6-5-7-9-14/h5-11H,1,12H2,2-4H3,(H,23,24)/b15-10-,22-11+InChIKey
NXACGKDNDIIDGR-QLRDGPKKSA-NSynonyms
372495-82-4372495824
8((2E)2((2Z)2bromo3phenylprop2en1ylidene)hydrazinyl)13dimethyl7(2methylprop2en1yl)37dihydro1Hpurine26dione
8((2E)2((Z)2bromo3phenylprop2enylidene)hydrazinyl)13dimethyl7(2methylprop2enyl)purine26dione
8((E)2((Z)2bromo3phenylallylidene)hydrazinyl)13dimethyl7(2methylallyl)1Hpurine26(3H7H)dione
CC(=C)Cn1c(NN=CC(=Cc2ccccc2)Br)nc2c1c(=O)n(c(=O)n2C)C
CC(=C)CN1C2=C(N=C1NN=CC(=CC3=CC=CC=C3)Br)N(C(=O)N(C2=O)C)C
InChI=1SC20H21BrN6O2c113(2)12271617(25(3)20(29)26(4)18(16)28)2319(27)24221115(21)10148657914h511H112H224H3(H2324)b15102211+
MFCD01942963
ZINC000009144934
ZINC62825029
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