Vitas-M small molecule compound

8-[(2E)-2-(3,4-dimethoxybenzylidene)hydrazinyl]-7-[2-hydroxy-3-(propan-2-yloxy)propyl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione

Catalog ID
STK833843
SMILES COc1cc(/C=N/Nc2nc3c(n2CC(COC(C)C)O)c(=O)[nH]c(=O)n3C)ccc1OC

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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 C21H28N6O6 MW 460.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H28N6O6/c1-12(2)33-11-14(28)10-27-17-18(26(3)21(30)24-19(17)29)23-20(27)25-22-9-13-6-7-15(31-4)16(8-13)32-5/h6-9,12,14,28H,10-11H2,1-5H3,(H,23,25)(H,24,29,30)/b22-9+
InChIKey
ONWKVRZKCQSZOK-LSFURLLWSA-N
Synonyms
332103-83-0
(E)8(2(34dimethoxybenzylidene)hydrazinyl)7(2hydroxy3isopropoxypropyl)3methyl1Hpurine26(3H7H)dione
332103830
8(((1E)2(34DIMETHOXYPHENYL)1AZAVINYL)AMINO)7(2HYDROXY3(METHYLETHOXY)PROPYL)3METHYL137TRIHYDROPURINE26DIONE
8((2E)2((34dimethoxyphenyl)methylidene)hydrazinyl)7(2hydroxy3propan2yloxypropyl)3methylpurine26dione
8((2E)2(34dimethoxybenzylidene)hydrazinyl)7(2hydroxy3(propan2yloxy)propyl)3methyl37dihydro1Hpurine26dione
CC(C)OCC(CN1C2=C(N=C1NN=CC3=CC(=C(C=C3)OC)OC)N(C(=O)NC2=O)C)O
COc1cc(C=NNc2nc3c(n2CC(COC(C)C)O)c(=O)(nH)c(=O)n3C)ccc1OC
InChI=1SC21H28N6O6c112(2)331114(28)10271718(26(3)21(30)2419(17)29)2320(27)25229136715(314)16(813)325h69121428H1011H215H3(H2325)(H242930)b229+
MFCD01879497
ZINC000013232355
ZINC000013232357

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Available files

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