Vitas-M small molecule compound

4-[(1E)-1-(2-{[1-(4-ammonio-1,2,5-oxadiazol-3-yl)-5-{[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-1H-1,2,3-triazol-4-yl]carbonyl}hydrazinylidene)butyl]phenolate

Catalog ID
STL042424
SMILES CCC/C(=N\NC(=O)c1nnn(c1CSc1nncn1C)c1nonc1[NH3+])/c1ccc(cc1)[O-]

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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 C19H21N11O3S MW 483.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H21N11O3S/c1-3-4-13(11-5-7-12(31)8-6-11)22-24-18(32)15-14(9-34-19-25-21-10-29(19)2)30(28-23-15)17-16(20)26-33-27-17/h5-8,10,31H,3-4,9H2,1-2H3,(H2,20,26)(H,24,32)/b22-13+
InChIKey
TZJTZQNGRUXUOU-LPYMAVHISA-N
Synonyms
849010-43-1
849010431
CCCC(=NNC(=O)c1nnn(c1CSc1nncn1C)c1nonc1(NH3+))c1ccc(cc1)(O)
MFCD05680553
ZINC000009286668

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Available files

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