Vitas-M small molecule compound
2-{8-[4-(2-hydroxyethyl)piperazin-1-yl]-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl}ethyl 3,4,5-trimethoxybenzoate
Catalog ID
STK531953
SMILES OCCN1CCN(CC1)c1nc2c(n1CCOC(=O)c1cc(OC)c(c(c1)OC)OC)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 C25H34N6O8 MW 546.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H34N6O8/c1-27-21-19(22(33)28(2)25(27)35)31(24(26-21)30-8-6-29(7-9-30)10-12-32)11-13-39-23(34)16-14-17(36-3)20(38-5)18(15-16)37-4/h14-15,32H,6-13H2,1-5H3InChIKey
QBZPGVMECXYQJL-UHFFFAOYSA-NSynonyms
2(8(4(2hydroxyethyl)piperazin1yl)13dimethyl26dioxo1236tetrahydro7Hpurin7yl)ethyl345trimethoxybenzoate
2(8(4(2hydroxyethyl)piperazin1yl)13dimethyl26dioxo23dihydro1Hpurin7(6H)yl)ethyl345trimethoxybenzoatehydrochloride
2(8(4(2HYDROXYETHYL)PIPERAZIN1YL)13DIMETHYL26DIOXOPURIN7YL)ETHYL345TRIMETHOXYBENZOATE
CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCN(CC3)CCO)CCOC(=O)C4=CC(=C(C(=C4)OC)OC)OC
InChI=1SC25H34N6O8c1272119(22(33)28(2)25(27)35)31(24(2621)308629(7930)101232)11133923(34)161417(363)20(385)18(1516)374h141532H613H215H3
MFCD02071764
OCCN1CCN(CC1)c1nc2c(n1CCOC(=O)c1cc(OC)c(c(c1)OC)OC)c(=O)n(c(=O)n2C)CCl
ZINC000097951060
ZINC97951060
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