Vitas-M small molecule compound
8-{(2E)-2-[(2Z)-2-bromo-3-phenylprop-2-en-1-ylidene]hydrazinyl}-7-(4-chlorobenzyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Catalog ID
STK094844
SMILES Br/C(=C\c1ccccc1)/C=N/Nc1nc2c(n1Cc1ccc(cc1)Cl)c(=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 C22H18BrClN6O2 MW 513.78 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H18BrClN6O2/c1-29-19-18(20(31)27-22(29)32)30(13-15-7-9-17(24)10-8-15)21(26-19)28-25-12-16(23)11-14-5-3-2-4-6-14/h2-12H,13H2,1H3,(H,26,28)(H,27,31,32)/b16-11-,25-12+InChIKey
QXPKFLDUICQGLP-KTRUABRBSA-NSynonyms
303971-49-5303971495
8((2E)2((2Z)2BROMO3PHENYLPROP2EN1YLIDENE)HYDRAZINYL)7(4CHLOROBENZYL)3METHYL37DIHYDRO1HPURINE26DIONE
8((2E)2((Z)2bromo3phenylprop2enylidene)hydrazinyl)7((4chlorophenyl)methyl)3methylpurine26dione
8((E)2((Z)2bromo3phenylallylidene)hydrazinyl)7(4chlorobenzyl)3methyl1Hpurine26(3H7H)dione
BrC(=Cc1ccccc1)C=NNc1nc2c(n1Cc1ccc(cc1)Cl)c(=O)(nH)c(=O)n2C
CN1C2=C(C(=O)NC1=O)N(C(=N2)NN=CC(=CC3=CC=CC=C3)Br)CC4=CC=C(C=C4)Cl
InChI=1SC22H18BrClN6O2c1291918(20(31)2722(29)32)30(13157917(24)10815)21(2619)28251216(23)11145324614h212H13H21H3(H2628)(H273132)b16112512+
MFCD01142800
STK094844
ZINC000008809364
ZINC96562693
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