Vitas-M small molecule compound

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

Catalog ID
STK029371
SMILES Clc1ccc(cc1)Cn1c(N/N=C(/c2ccccc2)\C)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 C21H19ClN6O2 MW 422.87 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19ClN6O2/c1-13(15-6-4-3-5-7-15)25-26-20-23-18-17(19(29)24-21(30)27(18)2)28(20)12-14-8-10-16(22)11-9-14/h3-11H,12H2,1-2H3,(H,23,26)(H,24,29,30)/b25-13+
InChIKey
WQPDCWYNYBKEMZ-DHRITJCHSA-N
Synonyms
303971-46-2
(E)7(4chlorobenzyl)3methyl8(2(1phenylethylidene)hydrazinyl)1Hpurine26(3H7H)dione
303971462
7((4chlorophenyl)methyl)3methyl8((2E)2(1phenylethylidene)hydrazinyl)purine26dione
7(4CHLOROBENZYL)3METHYL8((2E)2(1PHENYLETHYLIDENE)HYDRAZINYL)37DIHYDRO1HPURINE26DIONE
CC(=NNC1=NC2=C(N1CC3=CC=C(C=C3)Cl)C(=O)NC(=O)N2C)C4=CC=CC=C4
Clc1ccc(cc1)Cn1c(NN=C(c2ccccc2)C)nc2c1c(=O)(nH)c(=O)n2C
InChI=1SC21H19ClN6O2c113(156435715)252620231817(19(29)2421(30)27(18)2)28(20)121481016(22)11914h311H12H212H3(H2326)(H242930)b2513+
MFCD01142788
STK029371
ZINC000008809350
ZINC26608015

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Available files

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