Vitas-M small molecule compound

1-{2-[(2-hydroxyethyl)amino]ethyl}-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione

Catalog ID
STK697787
SMILES OCCNCCn1c(=O)c2n(C)cnc2n(c1=O)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 C11H17N5O3 MW 267.29 g/mol Purity >90% as per NMR
InChI
InChI=1S/C11H17N5O3/c1-14-7-13-9-8(14)10(18)16(11(19)15(9)2)5-3-12-4-6-17/h7,12,17H,3-6H2,1-2H3
InChIKey
GCBYEJFGRAZNDG-UHFFFAOYSA-N
Synonyms

1(2((2hydroxyethyl)amino)ethyl)37dimethyl1Hpurine26(3H7H)dionehydrobromide
1(2((2hydroxyethyl)amino)ethyl)37dimethyl37dihydro1Hpurine26dione
1(2(2HYDROXYETHYLAMINO)ETHYL)37DIMETHYL37DIHYDROPURINE26DIONE
1(2(2HYDROXYETHYLAMINO)ETHYL)37DIMETHYLPURINE26DIONE
CN1C=NC2=C1C(=O)N(C(=O)N2C)CCNCCO
InChI=1SC11H17N5O3c11471398(14)10(18)16(11(19)15(9)2)53124617h71217H36H212H3
MFCD01085515
OCCNCCn1c(=O)c2n(C)cnc2n(c1=O)CBr
ZINC000001646905
ZINC1646905

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Available files

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