Vitas-M small molecule compound
4-[(E)-{2-[1,3-dimethyl-2,6-dioxo-7-(prop-2-en-1-yl)-2,3,6,7-tetrahydro-1H-purin-9-ium-8-yl]hydrazinylidene}methyl]-3-hydroxyphenolate
Catalog ID
STK558948
SMILES C=CCn1c(N/N=C/c2ccc(cc2O)[O-])[nH+]c2c1c(=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 C17H18N6O4 MW 370.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H18N6O4/c1-4-7-23-13-14(21(2)17(27)22(3)15(13)26)19-16(23)20-18-9-10-5-6-11(24)8-12(10)25/h4-6,8-9,24-25H,1,7H2,2-3H3,(H,19,20)/b18-9+InChIKey
ZLXPJISZXQAJNZ-GIJQJNRQSA-NSynonyms
377050-47-0377050470
4((E)(2(13dimethyl26dioxo7(prop2en1yl)2367tetrahydro1Hpurin9ium8yl)hydrazinylidene)methyl)3hydroxyphenolate
C=CCn1c(NN=Cc2ccc(cc2O)(O))(nH+)c2c1c(=O)n(c(=O)n2C)C
MFCD02982564
ZINC000004312349
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