Vitas-M small molecule compound
2-[1,3-dimethyl-2,6-dioxo-8-(piperazin-1-yl)-1,2,3,6-tetrahydro-7H-purin-7-yl]ethyl 3,4,5-trimethoxybenzoate
Catalog ID
STK532527
SMILES COc1cc(cc(c1OC)OC)C(=O)OCCn1c(nc2c1c(=O)n(C)c(=O)n2C)N1CCNCC1
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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 C23H30N6O7 MW 502.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H30N6O7/c1-26-19-17(20(30)27(2)23(26)32)29(22(25-19)28-8-6-24-7-9-28)10-11-36-21(31)14-12-15(33-3)18(35-5)16(13-14)34-4/h12-13,24H,6-11H2,1-5H3InChIKey
FJJDFWFMTJCZBG-UHFFFAOYSA-NSynonyms
2(13dimethyl26dioxo8(piperazin1yl)1236tetrahydro7Hpurin7yl)ethyl345trimethoxybenzoate
2(13dimethyl26dioxo8(piperazin1yl)23dihydro1Hpurin7(6H)yl)ethyl345trimethoxybenzoatehydrochloride
2(13DIMETHYL26DIOXO8PIPERAZIN1YLPURIN7YL)ETHYL345TRIMETHOXYBENZOATE
CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCNCC3)CCOC(=O)C4=CC(=C(C(=C4)OC)OC)OC
COc1cc(cc(c1OC)OC)C(=O)OCCn1c(nc2c1c(=O)n(C)c(=O)n2C)N1CCNCC1Cl
InChI=1SC23H30N6O7c1261917(20(30)27(2)23(26)32)29(22(2519)2886247928)10113621(31)141215(333)18(355)16(1314)344h121324H611H215H3
MFCD02071765
ZINC000008426133
ZINC8426133
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