Vitas-M small molecule compound

1-benzyl-8-{(2E)-2-[4-(diethylamino)benzylidene]hydrazinyl}-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione

Catalog ID
STK697640
SMILES CCN(c1ccc(cc1)/C=N/Nc1nc2c(n1C)c(=O)n(c(=O)n2C)Cc1ccccc1)CC

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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 C25H29N7O2 MW 459.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H29N7O2/c1-5-31(6-2)20-14-12-18(13-15-20)16-26-28-24-27-22-21(29(24)3)23(33)32(25(34)30(22)4)17-19-10-8-7-9-11-19/h7-16H,5-6,17H2,1-4H3,(H,27,28)/b26-16+
InChIKey
FFUAGEHHJKQWFF-WGOQTCKBSA-N
Synonyms

(E)1benzyl8(2(4(diethylamino)benzylidene)hydrazinyl)37dimethyl1Hpurine26(3H7H)dione
1benzyl8((2E)2((4(diethylamino)phenyl)methylidene)hydrazinyl)37dimethylpurine26dione
1benzyl8((2E)2(4(diethylamino)benzylidene)hydrazinyl)37dimethyl37dihydro1Hpurine26dione
CCN(c1ccc(cc1)C=NNc1nc2c(n1C)c(=O)n(c(=O)n2C)Cc1ccccc1)CC
CCN(CC)C1=CC=C(C=C1)C=NNC2=NC3=C(N2C)C(=O)N(C(=O)N3C)CC4=CC=CC=C4
InChI=1SC25H29N7O2c1531(62)20141218(131520)16262824272221(29(24)3)23(33)32(25(34)30(22)4)1719108791119h716H5617H214H3(H2728)b2616+
MFCD02998308
ZINC000008996707
ZINC33920130

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Available files

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