Vitas-M small molecule compound
4-{(E)-[(2E)-(7-benzyl-1,3-dimethyl-2,6-dioxo-1,2,3,6,7,9-hexahydro-8H-purin-8-ylidene)hydrazinylidene]methyl}phenyl furan-2-carboxylate
Catalog ID
STL041472
SMILES O=C(c1ccco1)Oc1ccc(cc1)/C=N/N=c/1\[nH]c2c(n1Cc1ccccc1)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 C26H22N6O5 MW 498.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H22N6O5/c1-30-22-21(23(33)31(2)26(30)35)32(16-18-7-4-3-5-8-18)25(28-22)29-27-15-17-10-12-19(13-11-17)37-24(34)20-9-6-14-36-20/h3-15H,16H2,1-2H3,(H,28,29)/b27-15+InChIKey
GSRCZINUQSKFQB-JFLMPSFJSA-NSynonyms
573698-29-0(4((E)((7BENZYL13DIMETHYL26DIOXOPURIN8YL)HYDRAZINYLIDENE)METHYL)PHENYL)FURAN2CARBOXYLATE
4((E)((2E)(7benzyl13dimethyl26dioxo123679hexahydro8Hpurin8ylidene)hydrazinylidene)methyl)phenylfuran2carboxylate
573698290
CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NN=CC3=CC=C(C=C3)OC(=O)C4=CC=CO4)CC5=CC=CC=C5
InChI=1SC26H22N6O5c1302221(23(33)31(2)26(30)35)32(16187435818)25(2822)29271517101219(131117)3724(34)2096143620h315H16H212H3(H2829)b2715+
MFCD05737493
O=C(c1ccco1)Oc1ccc(cc1)C=NN=c1(nH)c2c(n1Cc1ccccc1)c(=O)n(c(=O)n2C)C
ZINC000008683381
ZINC33332546
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