Vitas-M small molecule compound

7-(1H-benzotriazol-1-ylmethyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione

Catalog ID
STL442820
SMILES Cn1c(=O)n(C)c2c(c1=O)n(cn2)Cn1nnc2c1cccc2

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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 C14H13N7O2 MW 311.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H13N7O2/c1-18-12-11(13(22)19(2)14(18)23)20(7-15-12)8-21-10-6-4-3-5-9(10)16-17-21/h3-7H,8H2,1-2H3
InChIKey
XULJFYHASXBAFL-UHFFFAOYSA-N
Synonyms
847853-03-6
7(1Hbenzotriazol1ylmethyl)13dimethyl37dihydro1Hpurine26dione
7(benzotriazol1ylmethyl)13dimethylpurine26dione
847853036
CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CN3C4=CC=CC=C4N=N3
InChI=1SC14H13N7O2c1181211(13(22)19(2)14(18)23)20(71512)8211064359(10)161721h37H8H212H3
MFCD07130123
ZINC000009975049
ZINC09975049
ZINC9975049

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Available files

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