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]phenolate

Catalog ID
STL057061
SMILES [O-]c1ccc(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 C19H14N8O5 MW 434.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H14N8O5/c20-17-18(25-32-24-17)27-16(11-3-6-13-14(7-11)31-9-30-13)15(22-26-27)19(29)23-21-8-10-1-4-12(28)5-2-10/h1-8,28H,9H2,(H2,20,24)(H,23,29)/b21-8+
InChIKey
UPSBYUGJQIRCIQ-ODCIPOBUSA-N
Synonyms
849025-79-2
(O)c1ccc(cc1)C=NNC(=O)c1nnn(c1c1ccc2c(c1)OCO2)c1nonc1(NH3+)
4((E)((1(4azaniumyl125oxadiazol3yl)5(13benzodioxol5yl)triazole4carbonyl)hydrazinylidene)methyl)phenolate
4((E)(2((1(4ammonio125oxadiazol3yl)5(13benzodioxol5yl)1H123triazol4yl)carbonyl)hydrazinylidene)methyl)phenolate
849025792
C1OC2=C(O1)C=C(C=C2)C3=C(N=NN3C4=NON=C4(NH3+))C(=O)NN=CC5=CC=C(C=C5)(O)
InChI=1SC19H14N8O5c201718(25322417)2716(11361314(711)3193013)15(222627)19(29)23218101412(28)5210h1828H9H2(H22024)(H2329)b218+
MFCD05681343
ZINC000001900925

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Available files

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