Vitas-M small molecule compound
3-hydroxy-4-{(E)-[2-({[4-methyl-5-(3-nitrophenyl)-4H-1,2,4-triazol-2-ium-3-yl]sulfanyl}acetyl)hydrazinylidene]methyl}phenolate
Catalog ID
STL036840
SMILES O=C(CSc1[nH+]nc(n1C)c1cccc(c1)[N+](=O)[O-])N/N=C/c1ccc(cc1O)[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 C18H16N6O5S MW 428.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H16N6O5S/c1-23-17(11-3-2-4-13(7-11)24(28)29)21-22-18(23)30-10-16(27)20-19-9-12-5-6-14(25)8-15(12)26/h2-9,25-26H,10H2,1H3,(H,20,27)/b19-9+InChIKey
RCZUQJQRBCWDOW-DJKKODMXSA-NSynonyms
348589-17-3348589173
3hydroxy4((E)(2(((4methyl5(3nitrophenyl)4H124triazol2ium3yl)sulfanyl)acetyl)hydrazinylidene)methyl)phenolate
MFCD02611064
O=C(CSc1(nH+)nc(n1C)c1cccc(c1)(N+)(=O)(O))NN=Cc1ccc(cc1O)(O)
ZINC000009329717
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