Vitas-M small molecule compound

7-(4-chlorobenzyl)-3-methyl-8-[(2E)-2-(3-nitrobenzylidene)hydrazinyl]-3,7-dihydro-1H-purine-2,6-dione

Catalog ID
STK061762
SMILES Clc1ccc(cc1)Cn1c(N/N=C/c2cccc(c2)[N+](=O)[O-])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 C20H16ClN7O4 MW 453.84 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H16ClN7O4/c1-26-17-16(18(29)24-20(26)30)27(11-12-5-7-14(21)8-6-12)19(23-17)25-22-10-13-3-2-4-15(9-13)28(31)32/h2-10H,11H2,1H3,(H,23,25)(H,24,29,30)/b22-10+
InChIKey
IWESUCNZTFDTGY-LSHDLFTRSA-N
Synonyms
303971-36-0
(E)7(4chlorobenzyl)3methyl8(2(3nitrobenzylidene)hydrazinyl)1Hpurine26(3H7H)dione
303971360
7((4chlorophenyl)methyl)3methyl8((2E)2((3nitrophenyl)methylidene)hydrazinyl)purine26dione
7(4CHLOROBENZYL)3METHYL8((2E)2(3NITROBENZYLIDENE)HYDRAZINYL)37DIHYDRO1HPURINE26DIONE
Clc1ccc(cc1)Cn1c(NN=Cc2cccc(c2)(N+)(=O)(O))nc2c1c(=O)(nH)c(=O)n2C
CN1C2=C(C(=O)NC1=O)N(C(=N2)NN=CC3=CC(=CC=C3)(N+)(=O)(O))CC4=CC=C(C=C4)Cl
InChI=1SC20H16ClN7O4c1261716(18(29)2420(26)30)27(11125714(21)8612)19(2317)2522101332415(913)28(31)32h210H11H21H3(H2325)(H242930)b2210+
MFCD01142797
STK061762
ZINC000008816618
ZINC35385993

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Available files

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