Vitas-M small molecule compound

ethyl 1-[1,3-dimethyl-7-(3-methylbenzyl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]piperidine-4-carboxylate

Catalog ID
STK262597
SMILES CCOC(=O)C1CCN(CC1)c1nc2c(n1Cc1cccc(c1)C)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 C23H29N5O4 MW 439.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H29N5O4/c1-5-32-21(30)17-9-11-27(12-10-17)22-24-19-18(20(29)26(4)23(31)25(19)3)28(22)14-16-8-6-7-15(2)13-16/h6-8,13,17H,5,9-12,14H2,1-4H3
InChIKey
XRJOQFWKXIABCY-UHFFFAOYSA-N
Synonyms

CCOC(=O)C1CCN(CC1)C2=NC3=C(N2CC4=CC=CC(=C4)C)C(=O)N(C(=O)N3C)C
ETHYL1(13DIMETHYL7((3METHYLPHENYL)METHYL)26DIOXO137TRIHYDROPURIN8YL)PIPERIDINE4CARBOXYLATE
ethyl1(13dimethyl7((3methylphenyl)methyl)26dioxopurin8yl)piperidine4carboxylate
ethyl1(13dimethyl7(3methylbenzyl)26dioxo2367tetrahydro1Hpurin8yl)piperidine4carboxylate
InChI=1SC23H29N5O4c153221(30)1791127(121017)22241918(20(29)26(4)23(31)25(19)3)28(22)141686715(2)1316h681317H591214H214H3
MFCD07037289
ZINC000008775063
ZINC08775063
ZINC8775063

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Available files

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