Vitas-M small molecule compound
4-[(1Z)-1-(2-{7-[2-hydroxy-3-(2-methylphenoxy)propyl]-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-9-ium-8-yl}hydrazinylidene)ethyl]phenolate
Catalog ID
STK563739
SMILES OC(Cn1c(N/N=C(\c2ccc(cc2)[O-])/C)[nH+]c2c1c(=O)n(c(=O)n2C)C)COc1ccccc1C
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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 C25H28N6O5 MW 492.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H28N6O5/c1-15-7-5-6-8-20(15)36-14-19(33)13-31-21-22(29(3)25(35)30(4)23(21)34)26-24(31)28-27-16(2)17-9-11-18(32)12-10-17/h5-12,19,32-33H,13-14H2,1-4H3,(H,26,28)/b27-16-InChIKey
RIFADZNWLMPNBH-YUMHPJSZSA-NSynonyms
4((1Z)1(2(7(2hydroxy3(2methylphenoxy)propyl)13dimethyl26dioxo2367tetrahydro1Hpurin9ium8yl)hydrazinylidene)ethyl)phenolate
MFCD02238505
OC(Cn1c(NN=C(c2ccc(cc2)(O))C)(nH+)c2c1c(=O)n(c(=O)n2C)C)COc1ccccc1C
ZINC000005360393
ZINC000005360400
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