Vitas-M small molecule compound

ethyl 4-{[7-(4-chlorobenzyl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]methyl}piperazine-1-carboxylate

Catalog ID
STK850415
SMILES CCOC(=O)N1CCN(CC1)Cc1nc2c(n1Cc1ccc(cc1)Cl)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 C22H27ClN6O4 MW 474.95 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H27ClN6O4/c1-4-33-22(32)28-11-9-27(10-12-28)14-17-24-19-18(20(30)26(3)21(31)25(19)2)29(17)13-15-5-7-16(23)8-6-15/h5-8H,4,9-14H2,1-3H3
InChIKey
IOFBLELRRGIGEZ-UHFFFAOYSA-N
Synonyms
851938-39-1
851938391
CCOC(=O)N1CCN(CC1)CC2=NC3=C(N2CC4=CC=C(C=C4)Cl)C(=O)N(C(=O)N3C)C
ETHYL4((7((4CHLOROPHENYL)METHYL)13DIMETHYL26DIOXO137TRIHYDROPURIN8YL)METHYL)PIPERAZINECARBOXYLATE
ETHYL4((7((4CHLOROPHENYL)METHYL)13DIMETHYL26DIOXOPURIN8YL)METHYL)PIPERAZINE1CARBOXYLATE
ethyl4((7(4chlorobenzyl)13dimethyl26dioxo2367tetrahydro1Hpurin8yl)methyl)piperazine1carboxylate
InChI=1SC22H27ClN6O4c143322(32)2811927(101228)1417241918(20(30)26(3)21(31)25(19)2)29(17)13155716(23)8615h58H4914H213H3
MFCD04466341
ZINC000020533211
ZINC20533211

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Available files

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