Vitas-M small molecule compound
4-{(E)-[2-(1,3,7-trimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)hydrazinylidene]methyl}phenyl furan-2-carboxylate
Catalog ID
STL026219
SMILES O=C(c1ccco1)Oc1ccc(cc1)/C=N/Nc1nc2c(n1C)c(=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 C20H18N6O5 MW 422.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18N6O5/c1-24-15-16(25(2)20(29)26(3)17(15)27)22-19(24)23-21-11-12-6-8-13(9-7-12)31-18(28)14-5-4-10-30-14/h4-11H,1-3H3,(H,22,23)/b21-11+InChIKey
QBYZJWVUOBIRTK-SRZZPIQSSA-NSynonyms
845636-31-9(4((E)((137trimethyl26dioxopurin8yl)hydrazinylidene)methyl)phenyl)furan2carboxylate
(E)4((2(137trimethyl26dioxo2367tetrahydro1Hpurin8yl)hydrazono)methyl)phenylfuran2carboxylate
4((E)(2(137trimethyl26dioxo2367tetrahydro1Hpurin8yl)hydrazinylidene)methyl)phenylfuran2carboxylate
845636319
CN1C2=C(N=C1NN=CC3=CC=C(C=C3)OC(=O)C4=CC=CO4)N(C(=O)N(C2=O)C)C
InChI=1SC20H18N6O5c1241516(25(2)20(29)26(3)17(15)27)2219(24)232111126813(9712)3118(28)1454103014h411H13H3(H2223)b2111+
MFCD04167171
O=C(c1ccco1)Oc1ccc(cc1)C=NNc1nc2c(n1C)c(=O)n(c(=O)n2C)C
ZINC000009281476
ZINC33451940
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