Vitas-M small molecule compound

(8E)-3-methyl-8-[(2E)-(3-nitrobenzylidene)hydrazinylidene]-7-pentyl-3,7,8,9-tetrahydro-1H-purine-2,6-dione

Catalog ID
STL037995
SMILES CCCCCn1/c(=N/N=C/c2cccc(c2)[N+](=O)[O-])/[nH]c2c1c(=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 C18H21N7O4 MW 399.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H21N7O4/c1-3-4-5-9-24-14-15(23(2)18(27)21-16(14)26)20-17(24)22-19-11-12-7-6-8-13(10-12)25(28)29/h6-8,10-11H,3-5,9H2,1-2H3,(H,20,22)(H,21,26,27)/b19-11+
InChIKey
WDGPMPLYOQRPKT-YBFXNURJSA-N
Synonyms
300588-86-7
(8E)3methyl8((2E)(3nitrobenzylidene)hydrazinylidene)7pentyl3789tetrahydro1Hpurine26dione
300588867
3METHYL8((2E)2((3NITROPHENYL)METHYLIDENE)HYDRAZINYL)7PENTYLPURINE26DIONE
CCCCCn1c(=NN=Cc2cccc(c2)(N+)(=O)(O))(nH)c2c1c(=O)(nH)c(=O)n2C
CCCCCN1C2=C(N=C1NN=CC3=CC(=CC=C3)(N+)(=O)(O))N(C(=O)NC2=O)C
InChI=1SC18H21N7O4c13459241415(23(2)18(27)2116(14)26)2017(24)2219111276813(1012)25(28)29h681011H359H212H3(H2022)(H212627)b1911+
MFCD03804511
ZINC000009008672
ZINC33908449

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Available files

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