Vitas-M small molecule compound
methyl (8-{[4-(3-chlorophenyl)piperazin-1-yl]methyl}-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)acetate
Catalog ID
STK598429
SMILES COC(=O)Cn1c(CN2CCN(CC2)c2cccc(c2)Cl)nc2c1c(=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 C21H25ClN6O4 MW 460.92 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H25ClN6O4/c1-24-19-18(20(30)25(2)21(24)31)28(13-17(29)32-3)16(23-19)12-26-7-9-27(10-8-26)15-6-4-5-14(22)11-15/h4-6,11H,7-10,12-13H2,1-3H3InChIKey
PMOSEBKECIMMLC-UHFFFAOYSA-NSynonyms
851940-47-1851940471
CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)CN3CCN(CC3)C4=CC(=CC=C4)Cl)CC(=O)OC
InChI=1SC21H25ClN6O4c1241918(20(30)25(2)21(24)31)28(1317(29)323)16(2319)12267927(10826)1564514(22)1115h4611H7101213H213H3
methyl(8((4(3chlorophenyl)piperazin1yl)methyl)13dimethyl26dioxo1236tetrahydro7Hpurin7yl)acetate
methyl2(8((4(3chlorophenyl)piperazin1yl)methyl)13dimethyl26dioxo23dihydro1Hpurin7(6H)yl)acetate
METHYL2(8((4(3CHLOROPHENYL)PIPERAZIN1YL)METHYL)13DIMETHYL26DIOXOPURIN7YL)ACETATE
METHYL2(8((4(3CHLOROPHENYL)PIPERAZINYL)METHYL)13DIMETHYL26DIOXO137TRIHYDROPURIN7YL)ACETATE
MFCD04466520
ZINC000055560095
ZINC55560095
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