Vitas-M small molecule compound
4-[(1E)-1-(2-{[1-(4-ammonio-1,2,5-oxadiazol-3-yl)-5-(3-methoxyphenyl)-1H-1,2,3-triazol-4-yl]carbonyl}hydrazinylidene)ethyl]phenolate
Catalog ID
STL042404
SMILES COc1cccc(c1)c1c(nnn1c1nonc1[NH3+])C(=O)N/N=C(/c1ccc(cc1)[O-])\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 C20H18N8O4 MW 434.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18N8O4/c1-11(12-6-8-14(29)9-7-12)22-24-20(30)16-17(13-4-3-5-15(10-13)31-2)28(27-23-16)19-18(21)25-32-26-19/h3-10,29H,1-2H3,(H2,21,25)(H,24,30)/b22-11+InChIKey
RMFGKKOMBHEWMN-SSDVNMTOSA-NSynonyms
848994-24-14((1E)1(2((1(4ammonio125oxadiazol3yl)5(3methoxyphenyl)1H123triazol4yl)carbonyl)hydrazinylidene)ethyl)phenolate
4((E)N((1(4azaniumyl125oxadiazol3yl)5(3methoxyphenyl)triazole4carbonyl)amino)Cmethylcarbonimidoyl)phenolate
848994241
CC(=NNC(=O)C1=C(N(N=N1)C2=NON=C2(NH3+))C3=CC(=CC=C3)OC)C4=CC=C(C=C4)(O)
COc1cccc(c1)c1c(nnn1c1nonc1(NH3+))C(=O)NN=C(c1ccc(cc1)(O))C
InChI=1SC20H18N8O4c111(126814(29)9712)222420(30)1617(1343515(1013)312)28(272316)1918(21)25322619h31029H12H3(H22125)(H2430)b2211+
MFCD05679279
ZINC000009234194
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