Vitas-M small molecule compound
methyl 3-{[1,3-dimethyl-2,6-dioxo-7-(propan-2-yl)-2,3,6,7-tetrahydro-1H-purin-8-yl]oxy}benzoate
Catalog ID
STL380345
SMILES COC(=O)c1cccc(c1)Oc1nc2c(n1C(C)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 C18H20N4O5 MW 372.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H20N4O5/c1-10(2)22-13-14(20(3)18(25)21(4)15(13)23)19-17(22)27-12-8-6-7-11(9-12)16(24)26-5/h6-10H,1-5H3InChIKey
DRRZNTKYIFPIEF-UHFFFAOYSA-NSynonyms
CC(C)N1C2=C(N=C1OC3=CC=CC(=C3)C(=O)OC)N(C(=O)N(C2=O)C)C
InChI=1SC18H20N4O5c110(2)221314(20(3)18(25)21(4)15(13)23)1917(22)271286711(912)16(24)265h610H15H3
methyl3((13dimethyl26dioxo7(propan2yl)2367tetrahydro1Hpurin8yl)oxy)benzoate
METHYL3(13DIMETHYL26DIOXO7PROPAN2YLPURIN8YL)OXYBENZOATE
MFCD04276614
ZINC000001409271
ZINC1409271
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