Vitas-M small molecule compound
3-[(E)-(2-{[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(morpholin-4-ium-4-ylmethyl)-1H-1,2,3-triazol-4-yl]carbonyl}hydrazinylidene)methyl]phenolate
Catalog ID
STK559414
SMILES [O-]c1cccc(c1)/C=N/NC(=O)c1nnn(c1C[NH+]1CCOCC1)c1nonc1N
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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 C17H19N9O4 MW 413.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H19N9O4/c18-15-16(23-30-22-15)26-13(10-25-4-6-29-7-5-25)14(20-24-26)17(28)21-19-9-11-2-1-3-12(27)8-11/h1-3,8-9,27H,4-7,10H2,(H2,18,22)(H,21,28)/b19-9+InChIKey
WPULDKYASRDLDV-DJKKODMXSA-NSynonyms
497940-28-0(O)c1cccc(c1)C=NNC(=O)c1nnn(c1C(NH+)1CCOCC1)c1nonc1N
1(4AMINO125OXADIAZOL3YL)N((E)(3HYDROXYPHENYL)METHYLIDENEAMINO)5(MORPHOLIN4YLMETHYL)TRIAZOLE4CARBOXAMIDE
3((E)(2((1(4amino125oxadiazol3yl)5(morpholin4ium4ylmethyl)1H123triazol4yl)carbonyl)hydrazinylidene)methyl)phenolate
497940280
C1COCCN1CC2=C(N=NN2C3=NON=C3N)C(=O)NN=CC4=CC(=CC=C4)O
InChI=1SC17H19N9O4c181516(23302215)2613(102546297525)14(202426)17(28)211991121312(27)811h138927H4710H2(H21822)(H2128)b199+
MFCD00759707
ZINC000020102419
ZINC33345122
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