Vitas-M small molecule compound
3-methyl-8-{(2E)-2-[1-(4-nitrophenyl)ethylidene]hydrazinyl}-7-(2-phenylethyl)-3,7-dihydro-1H-purine-2,6-dione
Catalog ID
STK082829
SMILES C/C(=N\Nc1nc2c(n1CCc1ccccc1)c(=O)[nH]c(=O)n2C)/c1ccc(cc1)[N+](=O)[O-]
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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 C22H21N7O4 MW 447.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21N7O4/c1-14(16-8-10-17(11-9-16)29(32)33)25-26-21-23-19-18(20(30)24-22(31)27(19)2)28(21)13-12-15-6-4-3-5-7-15/h3-11H,12-13H2,1-2H3,(H,23,26)(H,24,30,31)/b25-14+InChIKey
ZIJVXICOKDKWDP-AFUMVMLFSA-NSynonyms
370873-47-5(E)3methyl8(2(1(4nitrophenyl)ethylidene)hydrazinyl)7phenethyl1Hpurine26(3H7H)dione
370873475
3METHYL8((2E)2(1(4NITROPHENYL)ETHYLIDENE)HYDRAZINYL)7(2PHENYLETHYL)37DIHYDRO1HPURINE26DIONE
3methyl8((2E)2(1(4nitrophenyl)ethylidene)hydrazinyl)7(2phenylethyl)purine26dione
CC(=NNC1=NC2=C(N1CCC3=CC=CC=C3)C(=O)NC(=O)N2C)C4=CC=C(C=C4)(N+)(=O)(O)
CC(=NNc1nc2c(n1CCc1ccccc1)c(=O)(nH)c(=O)n2C)c1ccc(cc1)(N+)(=O)(O)
InChI=1SC22H21N7O4c114(1681017(11916)29(32)33)252621231918(20(30)2422(31)27(19)2)28(21)1312156435715h311H1213H212H3(H2326)(H243031)b2514+
MFCD01051215
STK082829
ZINC000018068001
ZINC18068002
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