Vitas-M small molecule compound
ethyl 1-(7-benzyl-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)piperidine-4-carboxylate
Catalog ID
STK262594
SMILES CCOC(=O)C1CCN(CC1)c1nc2c(n1Cc1ccccc1)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 C22H27N5O4 MW 425.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H27N5O4/c1-4-31-20(29)16-10-12-26(13-11-16)21-23-18-17(19(28)25(3)22(30)24(18)2)27(21)14-15-8-6-5-7-9-15/h5-9,16H,4,10-14H2,1-3H3InChIKey
QCFZQLABHILRKD-UHFFFAOYSA-NSynonyms
CCOC(=O)C1CCN(CC1)C2=NC3=C(N2CC4=CC=CC=C4)C(=O)N(C(=O)N3C)C
ETHYL1(13DIMETHYL26DIOXO7BENZYL137TRIHYDROPURIN8YL)PIPERIDINE4CARBOXYLATE
ethyl1(7benzyl13dimethyl26dioxo2367tetrahydro1Hpurin8yl)piperidine4carboxylate
ethyl1(7benzyl13dimethyl26dioxopurin8yl)piperidine4carboxylate
InChI=1SC22H27N5O4c143120(29)16101226(131116)21231817(19(28)25(3)22(30)24(18)2)27(21)14158657915h5916H41014H213H3
MFCD07037287
ZINC000004818603
ZINC04818603
ZINC4818603
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