Vitas-M small molecule compound
2-{8-[4-(2-hydroxyethyl)piperazin-1-yl]-3,7-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-1-yl}ethyl 3,4,5-trimethoxybenzoate
Catalog ID
STK531216
SMILES OCCN1CCN(CC1)c1nc2c(n1C)c(=O)n(c(=O)n2C)CCOC(=O)c1cc(OC)c(c(c1)OC)OC
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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/c1-27-19-21(26-24(27)30-8-6-29(7-9-30)10-12-32)28(2)25(35)31(22(19)33)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
MKLMTVDBOPIZEI-UHFFFAOYSA-NSynonyms
2(8(4(2hydroxyethyl)piperazin1yl)37dimethyl26dioxo2367tetrahydro1Hpurin1yl)ethyl345trimethoxybenzoate
2(8(4(2hydroxyethyl)piperazin1yl)37dimethyl26dioxo2367tetrahydro1Hpurin1yl)ethyl345trimethoxybenzoatepicolinate
2(8(4(2HYDROXYETHYL)PIPERAZIN1YL)37DIMETHYL26DIOXOPURIN1YL)ETHYL345TRIMETHOXYBENZOATE
CN1C2=C(N=C1N3CCN(CC3)CCO)N(C(=O)N(C2=O)CCOC(=O)C4=CC(=C(C(=C4)OC)OC)OC)C
InChI=1SC25H34N6O8c1271921(2624(27)308629(7930)101232)28(2)25(35)31(22(19)33)11133923(34)161417(363)20(385)18(1516)374h141532H613H215H3
MFCD02071671
OC(=O)c1ccccn1OCCN1CCN(CC1)c1nc2c(n1C)c(=O)n(c(=O)n2C)CCOC(=O)c1cc(OC)c(c(c1)OC)OC
ZINC000033356858
ZINC33356858
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