Vitas-M small molecule compound
ethyl 4-{[7-(3,4-diethoxybenzyl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]oxy}benzoate
Catalog ID
STK683371
SMILES CCOC(=O)c1ccc(cc1)Oc1nc2c(n1Cc1ccc(c(c1)OCC)OCC)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 C27H30N4O7 MW 522.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H30N4O7/c1-6-35-20-14-9-17(15-21(20)36-7-2)16-31-22-23(29(4)27(34)30(5)24(22)32)28-26(31)38-19-12-10-18(11-13-19)25(33)37-8-3/h9-15H,6-8,16H2,1-5H3InChIKey
HWCJIOFNIKSIDI-UHFFFAOYSA-NSynonyms
CCOC1=C(C=C(C=C1)CN2C3=C(N=C2OC4=CC=C(C=C4)C(=O)OCC)N(C(=O)N(C3=O)C)C)OCC
ethyl4((7(34diethoxybenzyl)13dimethyl26dioxo2367tetrahydro1Hpurin8yl)oxy)benzoate
ETHYL4(7((34DIETHOXYPHENYL)METHYL)13DIMETHYL26DIOXOPURIN8YL)OXYBENZOATE
InChI=1SC27H30N4O7c16352014917(1521(20)3672)16312223(29(4)27(34)30(5)24(22)32)2826(31)3819121018(111319)25(33)3783h915H6816H215H3
MFCD05257630
ZINC000012412222
ZINC12412222
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