Vitas-M small molecule compound

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

Catalog ID
STK000678
SMILES Clc1ccc(cc1)Cn1c(N/N=C/c2ccc(cc2)Br)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 C20H16BrClN6O2 MW 487.74 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H16BrClN6O2/c1-27-17-16(18(29)25-20(27)30)28(11-13-4-8-15(22)9-5-13)19(24-17)26-23-10-12-2-6-14(21)7-3-12/h2-10H,11H2,1H3,(H,24,26)(H,25,29,30)/b23-10+
InChIKey
WJQPXDURGRYXHX-AUEPDCJTSA-N
Synonyms
303971-37-1
(E)8(2(4bromobenzylidene)hydrazinyl)7(4chlorobenzyl)3methyl1Hpurine26(3H7H)dione
303971371
8((2E)2((4bromophenyl)methylidene)hydrazinyl)7((4chlorophenyl)methyl)3methylpurine26dione
8((2E)2(4BROMOBENZYLIDENE)HYDRAZINYL)7(4CHLOROBENZYL)3METHYL37DIHYDRO1HPURINE26DIONE
Clc1ccc(cc1)Cn1c(NN=Cc2ccc(cc2)Br)nc2c1c(=O)(nH)c(=O)n2C
CN1C2=C(C(=O)NC1=O)N(C(=N2)NN=CC3=CC=C(C=C3)Br)CC4=CC=C(C=C4)Cl
InChI=1SC20H16BrClN6O2c1271716(18(29)2520(27)30)28(11134815(22)9513)19(2417)262310122614(21)7312h210H11H21H3(H2426)(H252930)b2310+
MFCD01142795
STK000678
ZINC000008816615
ZINC101372433

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Available files

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