Vitas-M small molecule compound

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

Catalog ID
STK848022
SMILES CCCCn1c(CN2CCN(CC2)C(=O)OCC)nc2c1c(=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 C19H30N6O4 MW 406.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H30N6O4/c1-5-7-8-25-14(13-23-9-11-24(12-10-23)19(28)29-6-2)20-16-15(25)17(26)22(4)18(27)21(16)3/h5-13H2,1-4H3
InChIKey
QZMDMCLAIWFBTO-UHFFFAOYSA-N
Synonyms
838888-09-8
4((7BUTYL13DIMETHYL26DIOXO8PURINYL)METHYL)1PIPERAZINECARBOXYLICACIDETHYLESTER
4((7BUTYL26DIKETO13DIMETHYLPURIN8YL)METHYL)PIPERAZINE1CARBOXYLICACIDETHYLESTER
838888098
CCCCN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CN3CCN(CC3)C(=O)OCC
ETHYL4((7BUTYL13DIMETHYL26BIS(OXIDANYLIDENE)PURIN8YL)METHYL)PIPERAZINE1CARBOXYLATE
ETHYL4((7BUTYL13DIMETHYL26DIOXO137TRIHYDROPURIN8YL)METHYL)PIPERAZINECARBOXYLATE
ethyl4((7butyl13dimethyl26dioxo2367tetrahydro1Hpurin8yl)methyl)piperazine1carboxylate
ETHYL4((7BUTYL13DIMETHYL26DIOXOPURIN8YL)METHYL)PIPERAZINE1CARBOXYLATE
InChI=1SC19H30N6O4c15782514(132391124(121023)19(28)2962)201615(25)17(26)22(4)18(27)21(16)3h513H214H3
MFCD04466264
ZINC000012531994
ZINC12531994

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Available files

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