Vitas-M small molecule compound

8-[(2-hydroxyethyl)amino]-1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione

Catalog ID
STK004092
SMILES OCCNc1nc2c(n1C)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 C10H15N5O3 MW 253.26 g/mol Purity >90% as per NMR
InChI
InChI=1S/C10H15N5O3/c1-13-6-7(12-9(13)11-4-5-16)14(2)10(18)15(3)8(6)17/h16H,4-5H2,1-3H3,(H,11,12)
InChIKey
AWJFREKYPJBFBG-UHFFFAOYSA-N
Synonyms

37DIHYDRO8(2HYDROXYETHYLAMINO)137TRIMETHYL1HPURINE26DIONE
8((2HYDROXYETHYL)AMINO)137TRIMETHYL137TRIHYDROPURINE26DIONE
8((2HYDROXYETHYL)AMINO)137TRIMETHYL1HPURINE26(3H7H)DIONE
8((2HYDROXYETHYL)AMINO)137TRIMETHYL37DIHYDRO1HPURINE26DIONE
8(2HYDROXYETHYLAMINO)137TRIMETHYL37DIHYDROPURINE26DIONE
8(2HYDROXYETHYLAMINO)137TRIMETHYLPURINE26DIONE
8(2HYDROXYETHYLAMINO)137TRIMETHYLXANTHINE
8(2HYDROXYETHYLAMINO)CAFFEINE
8(BETAOXYAETHYL)AMINOCOFFEIN
CAFFEINE8(2HYDROXYETHYLAMINO)
CN1C2=C(N=C1NCCO)N(C(=O)N(C2=O)C)C
InChI=1SC10H15N5O3c11367(129(13)114516)14(2)10(18)15(3)8(6)17h16H45H213H3(H1112)
MFCD01413766
NBETA(CAFFEINO(8))AMINOETHANOL
OCCNc1nc2c(n1C)c(=O)n(c(=O)n2C)C
STK004092
ZINC000001664632
ZINC01664632
ZINC1664632

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Available files

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