Vitas-M small molecule compound
{4-[(E)-(2-{[1-(4-ammonio-1,2,5-oxadiazol-3-yl)-5-(1,3-benzodioxol-5-yl)-1H-1,2,3-triazol-4-yl]carbonyl}hydrazinylidene)methyl]phenoxy}acetate
Catalog ID
STL040635
SMILES [O-]C(=O)COc1ccc(cc1)/C=N/NC(=O)c1nnn(c1c1ccc2c(c1)OCO2)c1nonc1[NH3+]
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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 C21H16N8O7 MW 492.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H16N8O7/c22-19-20(27-36-26-19)29-18(12-3-6-14-15(7-12)35-10-34-14)17(24-28-29)21(32)25-23-8-11-1-4-13(5-2-11)33-9-16(30)31/h1-8H,9-10H2,(H2,22,26)(H,25,32)(H,30,31)/b23-8+InChIKey
HMZBRAFZCUJNFJ-LIMNOBDPSA-NSynonyms
849020-19-5(4((E)(2((1(4ammonio125oxadiazol3yl)5(13benzodioxol5yl)1H123triazol4yl)carbonyl)hydrazinylidene)methyl)phenoxy)acetate
(O)C(=O)COc1ccc(cc1)C=NNC(=O)c1nnn(c1c1ccc2c(c1)OCO2)c1nonc1(NH3+)
2(4((E)((1(4amino125oxadiazol3yl)5(13benzodioxol5yl)triazole4carbonyl)hydrazinylidene)methyl)phenoxy)aceticacid
849020195
C1OC2=C(O1)C=C(C=C2)C3=C(N=NN3C4=NON=C4N)C(=O)NN=CC5=CC=C(C=C5)OCC(=O)O
InChI=1SC21H16N8O7c221920(27362619)2918(12361415(712)35103414)17(242829)21(32)25238111413(5211)33916(30)31h18H910H2(H22226)(H2532)(H3031)b238+
MFCD05681142
ZINC000009327899
ZINC33590195
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