Vitas-M small molecule compound
ethyl 4-{[1,3-dimethyl-7-(3-methylbenzyl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]methyl}piperazine-1-carboxylate
Catalog ID
STK851509
SMILES CCOC(=O)N1CCN(CC1)Cc1nc2c(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 C23H30N6O4 MW 454.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H30N6O4/c1-5-33-23(32)28-11-9-27(10-12-28)15-18-24-20-19(21(30)26(4)22(31)25(20)3)29(18)14-17-8-6-7-16(2)13-17/h6-8,13H,5,9-12,14-15H2,1-4H3InChIKey
LLNRIPPMHPTFQX-UHFFFAOYSA-NSynonyms
851938-79-9851938799
CCOC(=O)N1CCN(CC1)CC2=NC3=C(N2CC4=CC=CC(=C4)C)C(=O)N(C(=O)N3C)C
ETHYL4((13DIMETHYL7((3METHYLPHENYL)METHYL)26DIOXOPURIN8YL)METHYL)PIPERAZINE1CARBOXYLATE
ethyl4((13dimethyl7(3methylbenzyl)26dioxo2367tetrahydro1Hpurin8yl)methyl)piperazine1carboxylate
InChI=1SC23H30N6O4c153323(32)2811927(101228)1518242019(21(30)26(4)22(31)25(20)3)29(18)141786716(2)1317h6813H59121415H214H3
MFCD04466378
ZINC000020533329
ZINC20533329
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