Vitas-M small molecule compound
3-(1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-9-ium-8-yl)phenolate
Catalog ID
STK569799
SMILES [O-]c1cccc(c1)c1[nH]c2c([nH+]1)n(C)c(=O)n(c2=O)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 C13H12N4O3 MW 272.26 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H12N4O3/c1-16-11-9(12(19)17(2)13(16)20)14-10(15-11)7-4-3-5-8(18)6-7/h3-6,18H,1-2H3,(H,14,15)InChIKey
UZPPSCQEEUUJSB-UHFFFAOYSA-NSynonyms
85872-68-0(O)c1cccc(c1)c1(nH)c2c((nH+)1)n(C)c(=O)n(c2=O)C
3(13dimethyl26dioxo2367tetrahydro1Hpurin9ium8yl)phenolate
8(3HYDROXYPHENYL)13DIMETHYL37DIHYDRO1HPURINE26DIONE
8(3HYDROXYPHENYL)13DIMETHYL37DIHYDROPURINE26DIONE
8(3HYDROXYPHENYL)13DIMETHYL7HPURINE26DIONE
85872680
CN1C2=C(C(=O)N(C1=O)C)NC(=N2)C3=CC(=CC=C3)O
InChI=1SC13H12N4O3c116119(12(19)17(2)13(16)20)1410(1511)74358(18)67h3618H12H3(H1415)
MFCD04011603
ZINC000004019690
ZINC04019690
ZINC4019690
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