Vitas-M small molecule compound

7-(2-chlorobenzyl)-1,3-dimethyl-8-{(2Z)-2-[1-(3-nitrophenyl)ethylidene]hydrazinyl}-3,7-dihydro-1H-purine-2,6-dione

Catalog ID
STK537431
SMILES C/C(=N/Nc1nc2c(n1Cc1ccccc1Cl)c(=O)n(c(=O)n2C)C)/c1cccc(c1)[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 C22H20ClN7O4 MW 481.90 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20ClN7O4/c1-13(14-8-6-9-16(11-14)30(33)34)25-26-21-24-19-18(20(31)28(3)22(32)27(19)2)29(21)12-15-7-4-5-10-17(15)23/h4-11H,12H2,1-3H3,(H,24,26)/b25-13-
InChIKey
SGNDWQCCNURSKJ-MXAYSNPKSA-N
Synonyms
372496-18-9
(Z)7(2chlorobenzyl)13dimethyl8(2(1(3nitrophenyl)ethylidene)hydrazinyl)1Hpurine26(3H7H)dione
372496189
7((2CHLOROPHENYL)METHYL)13DIMETHYL8((2Z)2(1(3NITROPHENYL)ETHYLIDENE)HYDRAZINYL)PURINE26DIONE
7(2chlorobenzyl)13dimethyl8((2Z)2(1(3nitrophenyl)ethylidene)hydrazinyl)37dihydro1Hpurine26dione
CC(=NNC1=NC2=C(N1CC3=CC=CC=C3Cl)C(=O)N(C(=O)N2C)C)C4=CC(=CC=C4)(N+)(=O)(O)
CC(=NNc1nc2c(n1Cc1ccccc1Cl)c(=O)n(c(=O)n2C)C)c1cccc(c1)(N+)(=O)(O)
InChI=1SC22H20ClN7O4c113(1486916(1114)30(33)34)252621241918(20(31)28(3)22(32)27(19)2)29(21)12157451017(15)23h411H12H213H3(H2426)b2513
MFCD01943038
ZINC000009144939
ZINC33333436

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Available files

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