Vitas-M small molecule compound

(8E)-7-(2-chlorobenzyl)-1,3-dimethyl-8-{(2E)-[(2E)-3-phenylprop-2-en-1-ylidene]hydrazinylidene}-3,7,8,9-tetrahydro-1H-purine-2,6-dione

Catalog ID
STL055421
SMILES Clc1ccccc1Cn1/c(=N/N=C/C=C/c2ccccc2)/[nH]c2c1c(=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 C23H21ClN6O2 MW 448.91 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H21ClN6O2/c1-28-20-19(21(31)29(2)23(28)32)30(15-17-12-6-7-13-18(17)24)22(26-20)27-25-14-8-11-16-9-4-3-5-10-16/h3-14H,15H2,1-2H3,(H,26,27)/b11-8+,25-14+
InChIKey
FQELSJOQVMLNPA-XCFSAEAASA-N
Synonyms
714916-87-7
(8E)7(2chlorobenzyl)13dimethyl8((2E)((2E)3phenylprop2en1ylidene)hydrazinylidene)3789tetrahydro1Hpurine26dione
7((2chlorophenyl)methyl)13dimethyl8((2E)2((E)3phenylprop2enylidene)hydrazinyl)purine26dione
714916877
Clc1ccccc1Cn1c(=NN=CC=Cc2ccccc2)(nH)c2c1c(=O)n(c(=O)n2C)C
CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NN=CC=CC3=CC=CC=C3)CC4=CC=CC=C4Cl
InChI=1SC23H21ClN6O2c1282019(21(31)29(2)23(28)32)30(151712671318(17)24)22(2620)2725148111694351016h314H15H212H3(H2627)b118+2514+
MFCD05732547
ZINC000002234116
ZINC33855187

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Available files

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