Vitas-M small molecule compound

ethyl 4-{[1,3-dimethyl-7-(3-methylbutyl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]methyl}piperazine-1-carboxylate

Catalog ID
STK851726
SMILES CCOC(=O)N1CCN(CC1)Cc1nc2c(n1CCC(C)C)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 C20H32N6O4 MW 420.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H32N6O4/c1-6-30-20(29)25-11-9-24(10-12-25)13-15-21-17-16(26(15)8-7-14(2)3)18(27)23(5)19(28)22(17)4/h14H,6-13H2,1-5H3
InChIKey
GKOJIAWFGXJNQH-UHFFFAOYSA-N
Synonyms
851941-87-2
4((13DIMETHYL7(3METHYLBUTYL)26DIOXO8PURINYL)METHYL)1PIPERAZINECARBOXYLICACIDETHYLESTER
4((7ISOAMYL26DIKETO13DIMETHYLPURIN8YL)METHYL)PIPERAZINE1CARBOXYLICACIDETHYLESTER
851941872
CCOC(=O)N1CCN(CC1)CC2=NC3=C(N2CCC(C)C)C(=O)N(C(=O)N3C)C
ETHYL4((13DIMETHYL7(3METHYLBUTYL)26BIS(OXIDANYLIDENE)PURIN8YL)METHYL)PIPERAZINE1CARBOXYLATE
ETHYL4((13DIMETHYL7(3METHYLBUTYL)26DIOXO137TRIHYDROPURIN8YL)METHYL)PIPERAZINECARBOXYLATE
ethyl4((13dimethyl7(3methylbutyl)26dioxo2367tetrahydro1Hpurin8yl)methyl)piperazine1carboxylate
ETHYL4((13DIMETHYL7(3METHYLBUTYL)26DIOXOPURIN8YL)METHYL)PIPERAZINE1CARBOXYLATE
ethyl4((7isopentyl13dimethyl26dioxo2367tetrahydro1Hpurin8yl)methyl)piperazine1carboxylate
InChI=1SC20H32N6O4c163020(29)2511924(101225)1315211716(26(15)8714(2)3)18(27)23(5)19(28)22(17)4h14H613H215H3
MFCD04466676
ZINC000012532243
ZINC12532243

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Available files

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