Vitas-M small molecule compound
3-{[7-(2-chlorobenzyl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]oxy}benzaldehyde
Catalog ID
STK228681
SMILES O=Cc1cccc(c1)Oc1nc2c(n1Cc1ccccc1Cl)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 C21H17ClN4O4 MW 424.84 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H17ClN4O4/c1-24-18-17(19(28)25(2)21(24)29)26(11-14-7-3-4-9-16(14)22)20(23-18)30-15-8-5-6-13(10-15)12-27/h3-10,12H,11H2,1-2H3InChIKey
QTRQUEBEEUCTDU-UHFFFAOYSA-NSynonyms
3((7(2chlorobenzyl)13dimethyl26dioxo2367tetrahydro1Hpurin8yl)oxy)benzaldehyde
3(7((2CHLOROPHENYL)METHYL)13DIMETHYL26DIOXOPURIN8YL)OXYBENZALDEHYDE
CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)OC3=CC=CC(=C3)C=O)CC4=CC=CC=C4Cl
InChI=1SC21H17ClN4O4c1241817(19(28)25(2)21(24)29)26(1114734916(14)22)20(2318)301585613(1015)1227h31012H11H212H3
MFCD03721819
ZINC000001132766
ZINC01132766
ZINC1132766
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