Vitas-M small molecule compound

methyl 3-[(7-butyl-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)oxy]benzoate

Catalog ID
STK773018
SMILES CCCCn1c(Oc2cccc(c2)C(=O)OC)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 C19H22N4O5 MW 386.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H22N4O5/c1-5-6-10-23-14-15(21(2)19(26)22(3)16(14)24)20-18(23)28-13-9-7-8-12(11-13)17(25)27-4/h7-9,11H,5-6,10H2,1-4H3
InChIKey
PQTGJFDMVYDEPR-UHFFFAOYSA-N
Synonyms

CCCCN1C2=C(N=C1OC3=CC=CC(=C3)C(=O)OC)N(C(=O)N(C2=O)C)C
InChI=1SC19H22N4O5c15610231415(21(2)19(26)22(3)16(14)24)2018(23)281397812(1113)17(25)274h7911H5610H214H3
methyl3((7butyl13dimethyl26dioxo2367tetrahydro1Hpurin8yl)oxy)benzoate
METHYL3(7BUTYL13DIMETHYL26DIOXOPURIN8YL)OXYBENZOATE
MFCD03821124
ZINC000037868560
ZINC37868560

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Available files

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