Vitas-M small molecule compound

ethyl 4-(7-benzyl-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)piperazine-1-carboxylate

Catalog ID
STK324235
SMILES CCOC(=O)N1CCN(CC1)c1nc2c(n1Cc1ccccc1)c(=O)n(c(=O)n2C)C

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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 C21H26N6O4 MW 426.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H26N6O4/c1-4-31-21(30)26-12-10-25(11-13-26)19-22-17-16(18(28)24(3)20(29)23(17)2)27(19)14-15-8-6-5-7-9-15/h5-9H,4,10-14H2,1-3H3
InChIKey
ZXVDVLNNICTZNT-UHFFFAOYSA-N
Synonyms

CCOC(=O)N1CCN(CC1)C2=NC3=C(N2CC4=CC=CC=C4)C(=O)N(C(=O)N3C)C
ETHYL4(13DIMETHYL26DIOXO7BENZYL137TRIHYDROPURIN8YL)PIPERAZINECARBOXYLATE
ethyl4(7benzyl13dimethyl26dioxo2367tetrahydro1Hpurin8yl)piperazine1carboxylate
ethyl4(7benzyl13dimethyl26dioxopurin8yl)piperazine1carboxylate
InChI=1SC21H26N6O4c143121(30)26121025(111326)19221716(18(28)24(3)20(29)23(17)2)27(19)14158657915h59H41014H213H3
MFCD07037275
ZINC000008775138
ZINC08775138
ZINC8775138

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Available files

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