Vitas-M small molecule compound
N'-[(E)-(2-chloro-5-nitrophenyl)methylidene]-2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)acetohydrazide
Catalog ID
STK098385
SMILES O=C(Cn1cnc2c1c(=O)n(C)c(=O)n2C)N/N=C/c1cc(ccc1Cl)[N+](=O)[O-]
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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 C16H14ClN7O5 MW 419.78 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H14ClN7O5/c1-21-14-13(15(26)22(2)16(21)27)23(8-18-14)7-12(25)20-19-6-9-5-10(24(28)29)3-4-11(9)17/h3-6,8H,7H2,1-2H3,(H,20,25)/b19-6+InChIKey
HKLRKTUHAQOQOT-KPSZGOFPSA-NSynonyms
315218-23-6(E)N(2chloro5nitrobenzylidene)2(13dimethyl26dioxo23dihydro1Hpurin7(6H)yl)acetohydrazide
315218236
CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)NN=CC3=C(C=CC(=C3)(N+)(=O)(O))Cl
InChI=1SC16H14ClN7O5c1211413(15(26)22(2)16(21)27)23(81814)712(25)201969510(24(28)29)3411(9)17h368H7H212H3(H2025)b196+
MFCD02076890
N((E)(2chloro5nitrophenyl)methylidene)2(13dimethyl26dioxo1236tetrahydro7Hpurin7yl)acetohydrazide
N((E)(2chloro5nitrophenyl)methylideneamino)2(13dimethyl26dioxopurin7yl)acetamide
O=C(Cn1cnc2c1c(=O)n(C)c(=O)n2C)NN=Cc1cc(ccc1Cl)(N+)(=O)(O)
STK098385
ZINC000001475025
ZINC33341544
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