Vitas-M small molecule compound
benzyl 4-(5-{(E)-[2-(1H-tetrazol-5-yl)hydrazinylidene]methyl}furan-2-yl)benzoate
Catalog ID
STK104099
SMILES O=C(c1ccc(cc1)c1ccc(o1)/C=N/Nc1nnn[nH]1)OCc1ccccc1
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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 C20H16N6O3 MW 388.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H16N6O3/c27-19(28-13-14-4-2-1-3-5-14)16-8-6-15(7-9-16)18-11-10-17(29-18)12-21-22-20-23-25-26-24-20/h1-12H,13H2,(H2,22,23,24,25,26)/b21-12+InChIKey
RIJAXJZGJHJPOH-CIAFOILYSA-NSynonyms
BENZYL4(5((E)(2(1HTETRAZOL5YL)HYDRAZINYLIDENE)METHYL)FURAN2YL)BENZOATE
benzyl4(5((E)(2Htetrazol5ylhydrazinylidene)methyl)furan2yl)benzoate
C1=CC=C(C=C1)COC(=O)C2=CC=C(C=C2)C3=CC=C(O3)C=NNC4=NNN=N4
InChI=1SC20H16N6O3c2719(2813144213514)168615(7916)18111017(2918)122122202325262420h112H13H2(H22223242526)b2112+
MFCD03924092
O=C(c1ccc(cc1)c1ccc(o1)C=NNc1nnn(nH)1)OCc1ccccc1
ZINC000008381252
ZINC101507480
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