Vitas-M small molecule compound
2-[4-(1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)piperazin-1-yl]ethyl 3,5-dimethoxybenzoate
Catalog ID
STK320220
SMILES COc1cc(OC)cc(c1)C(=O)OCCN1CCN(CC1)c1[nH]c2c(n1)n(C)c(=O)n(c2=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 C22H28N6O6 MW 472.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H28N6O6/c1-25-18-17(19(29)26(2)22(25)31)23-21(24-18)28-7-5-27(6-8-28)9-10-34-20(30)14-11-15(32-3)13-16(12-14)33-4/h11-13H,5-10H2,1-4H3,(H,23,24)InChIKey
IVEPOZSTEFHKJE-UHFFFAOYSA-NSynonyms
904523-83-72(4(13DIMETHYL26DIOXO137TRIHYDROPURIN8YL)PIPERAZINYL)ETHYL35DIMETHOXYBENZOATE
2(4(13dimethyl26dioxo2367tetrahydro1Hpurin8yl)piperazin1yl)ethyl35dimethoxybenzoate
2(4(13dimethyl26dioxo7Hpurin8yl)piperazin1yl)ethyl35dimethoxybenzoate
904523837
CN1C2=C(C(=O)N(C1=O)C)NC(=N2)N3CCN(CC3)CCOC(=O)C4=CC(=CC(=C4)OC)OC
COc1cc(OC)cc(c1)C(=O)OCCN1CCN(CC1)c1(nH)c2c(n1)n(C)c(=O)n(c2=O)C
InChI=1SC22H28N6O6c1251817(19(29)26(2)22(25)31)2321(2418)287527(6828)9103420(30)141115(323)1316(1214)334h1113H510H214H3(H2324)
MFCD07037403
ZINC000012652016
ZINC12652016
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