Vitas-M small molecule compound

8-{(2E)-2-[4-(benzyloxy)benzylidene]hydrazinyl}-1,3-dimethyl-7-(2-methylprop-2-en-1-yl)-3,7-dihydro-1H-purine-2,6-dione

Catalog ID
STK537554
SMILES CC(=C)Cn1c(N/N=C/c2ccc(cc2)OCc2ccccc2)nc2c1c(=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 C25H26N6O3 MW 458.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H26N6O3/c1-17(2)15-31-21-22(29(3)25(33)30(4)23(21)32)27-24(31)28-26-14-18-10-12-20(13-11-18)34-16-19-8-6-5-7-9-19/h5-14H,1,15-16H2,2-4H3,(H,27,28)/b26-14+
InChIKey
CQLSSOSZQPDIRG-VULFUBBASA-N
Synonyms
376623-85-7
(E)8(2(4(benzyloxy)benzylidene)hydrazinyl)13dimethyl7(2methylallyl)1Hpurine26(3H7H)dione
13dimethyl7(2methylprop2enyl)8((2E)2((4phenylmethoxyphenyl)methylidene)hydrazinyl)purine26dione
376623857
8(((1E)2(4(PHENYLMETHOXY)PHENYL)1AZAVINYL)AMINO)13DIMETHYL7(2METHYLPROP2ENYL)137TRIHYDROPURINE26DIONE
8((2E)2(4(benzyloxy)benzylidene)hydrazinyl)13dimethyl7(2methylprop2en1yl)37dihydro1Hpurine26dione
CC(=C)Cn1c(NN=Cc2ccc(cc2)OCc2ccccc2)nc2c1c(=O)n(c(=O)n2C)C
CC(=C)CN1C2=C(N=C1NN=CC3=CC=C(C=C3)OCC4=CC=CC=C4)N(C(=O)N(C2=O)C)C
InChI=1SC25H26N6O3c117(2)15312122(29(3)25(33)30(4)23(21)32)2724(31)28261418101220(131118)3416198657919h514H11516H224H3(H2728)b2614+
MFCD02982302
ZINC000009046384
ZINC102421009

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.