Vitas-M small molecule compound

diethyl [2-(1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)hydrazinylidene]propanedioate

Catalog ID
STK806418
SMILES CCOC(=O)C(=NNc1[nH]c2c(n1)n(C)c(=O)n(c2=O)C)C(=O)OCC

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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 C14H18N6O6 MW 366.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H18N6O6/c1-5-25-11(22)8(12(23)26-6-2)17-18-13-15-7-9(16-13)19(3)14(24)20(4)10(7)21/h5-6H2,1-4H3,(H2,15,16,18)
InChIKey
NSDVRSHQSQVAGP-UHFFFAOYSA-N
Synonyms
358968-42-0
(2(THEOPHYLINE8YL)HYDRAZONO)MALONICACIDDIETHYLESTER
358968420
CCOC(=O)C(=NNc1(nH)c2c(n1)n(C)c(=O)n(c2=O)C)C(=O)OCC
CCOC(=O)C(=NNC1=NC2=C(N1)C(=O)N(C(=O)N2C)C)C(=O)OCC
diethyl(2(13dimethyl26dioxo2367tetrahydro1Hpurin8yl)hydrazinylidene)propanedioate
DIETHYL2((13DIMETHYL26DIOXO7HPURIN8YL)HYDRAZINYLIDENE)PROPANEDIOATE
diethyl2(2(13dimethyl26dioxo2367tetrahydro1Hpurin8yl)hydrazono)malonate
InChI=1SC14H18N6O6c152511(22)8(12(23)2662)1718131579(1613)19(3)14(24)20(4)10(7)21h56H214H3(H2151618)
MFCD01435731
ZINC000008951391
ZINC08951391
ZINC8951391

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Available files

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