Vitas-M small molecule compound

7-ethyl-1,3-dimethyl-8-(2-methylphenoxy)-3,7-dihydro-1H-purine-2,6-dione

Catalog ID
STL388552
SMILES CCn1c(Oc2ccccc2C)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 C16H18N4O3 MW 314.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H18N4O3/c1-5-20-12-13(18(3)16(22)19(4)14(12)21)17-15(20)23-11-9-7-6-8-10(11)2/h6-9H,5H2,1-4H3
InChIKey
DOEWLZAKBKVKEL-UHFFFAOYSA-N
Synonyms

7ethyl13dimethyl8(2methylphenoxy)37dihydro1Hpurine26dione
7ETHYL13DIMETHYL8(2METHYLPHENOXY)PURINE26DIONE
7ETHYL13DIMETHYL8OTOLYLOXY37DIHYDROPURINE26DIONE
CCN1C2=C(N=C1OC3=CC=CC=C3C)N(C(=O)N(C2=O)C)C
InChI=1SC16H18N4O3c15201213(18(3)16(22)19(4)14(12)21)1715(20)2311976810(11)2h69H5H214H3
MFCD07157352
ZINC000004385770
ZINC04385770
ZINC4385770

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Available files

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