Vitas-M small molecule compound
methyl 4-[(E)-{2-[(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)acetyl]hydrazinylidene}methyl]benzoate
Catalog ID
STK068564
SMILES COC(=O)c1ccc(cc1)/C=N/NC(=O)Cn1cnc2c1c(=O)n(C)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 C18H18N6O5 MW 398.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H18N6O5/c1-22-15-14(16(26)23(2)18(22)28)24(10-19-15)9-13(25)21-20-8-11-4-6-12(7-5-11)17(27)29-3/h4-8,10H,9H2,1-3H3,(H,21,25)/b20-8+InChIKey
MSOZFSBYTMGLEH-DNTJNYDQSA-NSynonyms
497864-75-2(E)methyl4((2(2(13dimethyl26dioxo23dihydro1Hpurin7(6H)yl)acetyl)hydrazono)methyl)benzoate
497864752
CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)NN=CC3=CC=C(C=C3)C(=O)OC
COC(=O)c1ccc(cc1)C=NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C
InChI=1SC18H18N6O5c1221514(16(26)23(2)18(22)28)24(101915)913(25)21208114612(7511)17(27)293h4810H9H213H3(H2125)b208+
METHYL4((1E)2(2(13DIMETHYL26DIOXO(137TRIHYDROPURIN7YL))ACETYLAMINO)2AZAVINYL)BENZOATE
methyl4((E)((2(13dimethyl26dioxopurin7yl)acetyl)hydrazinylidene)methyl)benzoate
methyl4((E)(2((13dimethyl26dioxo1236tetrahydro7Hpurin7yl)acetyl)hydrazinylidene)methyl)benzoate
MFCD02668310
STK068564
ZINC000001105475
ZINC33305879
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