Vitas-M small molecule compound

ethyl 4-[(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)acetyl]piperazine-1-carboxylate

Catalog ID
STK042611
SMILES CCOC(=O)N1CCN(CC1)C(=O)Cn1cnc2c1c(=O)n(C)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 C16H22N6O5 MW 378.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H22N6O5/c1-4-27-16(26)21-7-5-20(6-8-21)11(23)9-22-10-17-13-12(22)14(24)19(3)15(25)18(13)2/h10H,4-9H2,1-3H3
InChIKey
WXOQPWHVQUSXBX-UHFFFAOYSA-N
Synonyms
349114-37-0
349114370
CCOC(=O)N1CCN(CC1)C(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C
CCOC(=O)N1CCN(CC1)C(=O)CN2C=NC3=C2C(=O)N(C(=O)N3C)C
ethyl4((13dimethyl26dioxo1236tetrahydro7Hpurin7yl)acetyl)piperazine1carboxylate
ETHYL4(2(13DIMETHYL26DIOXOPURIN7YL)ACETYL)PIPERAZINE1CARBOXYLATE
InChI=1SC16H22N6O5c142716(26)217520(6821)11(23)92210171312(22)14(24)19(3)15(25)18(13)2h10H49H213H3
MFCD02731139
STK042611
ZINC000000851785
ZINC00851785
ZINC851785

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Available files

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