Vitas-M small molecule compound
3-methyl-7-{2-oxo-2-[4-(propan-2-yl)phenyl]ethyl}-3,7-dihydro-1H-purine-2,6-dione
Catalog ID
STL265587
SMILES O=C(c1ccc(cc1)C(C)C)Cn1cnc2c1c(=O)[nH]c(=O)n2C
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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 C17H18N4O3 MW 326.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H18N4O3/c1-10(2)11-4-6-12(7-5-11)13(22)8-21-9-18-15-14(21)16(23)19-17(24)20(15)3/h4-7,9-10H,8H2,1-3H3,(H,19,23,24)InChIKey
JEXMZCOZVZZTTQ-UHFFFAOYSA-NSynonyms
3methyl7(2oxo2(4(propan2yl)phenyl)ethyl)37dihydro1Hpurine26dione
3METHYL7(2OXO2(4PROPAN2YLPHENYL)ETHYL)PURINE26DIONE
CC(C)C1=CC=C(C=C1)C(=O)CN2C=NC3=C2C(=O)NC(=O)N3C
InChI=1SC17H18N4O3c110(2)114612(7511)13(22)8219181514(21)16(23)1917(24)20(15)3h47910H8H213H3(H192324)
MFCD03765727
O=C(c1ccc(cc1)C(C)C)Cn1cnc2c1c(=O)(nH)c(=O)n2C
ZINC000004606923
ZINC04606923
ZINC4606923
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