Vitas-M small molecule compound
3-[(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]phenolate
Catalog ID
STL046247
SMILES C=CCn1c(N/N=C/c2cccc(c2)[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 C17H18N6O3 MW 354.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H18N6O3/c1-4-8-23-13-14(21(2)17(26)22(3)15(13)25)19-16(23)20-18-10-11-6-5-7-12(24)9-11/h4-7,9-10,24H,1,8H2,2-3H3,(H,19,20)/b18-10+InChIKey
WMKHHJULIFTVGT-VCHYOVAHSA-NSynonyms
377050-27-63((E)(2(13dimethyl26dioxo7(prop2en1yl)2367tetrahydro1Hpurin9ium8yl)hydrazinylidene)methyl)phenolate
377050276
C=CCn1c(NN=Cc2cccc(c2)(O))(nH+)c2c1c(=O)n(c(=O)n2C)C
MFCD02982873
ZINC000004135219
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