Vitas-M small molecule compound

2-{(E)-[2-({[5-(3-chlorophenyl)-4-methyl-4H-1,2,4-triazol-2-ium-3-yl]sulfanyl}acetyl)hydrazinylidene]methyl}-4-nitrophenolate

Catalog ID
STL039626
SMILES O=C(CSc1[nH+]nc(n1C)c1cccc(c1)Cl)N/N=C/c1cc(ccc1[O-])[N+](=O)[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 C18H15ClN6O4S MW 446.87 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H15ClN6O4S/c1-24-17(11-3-2-4-13(19)7-11)22-23-18(24)30-10-16(27)21-20-9-12-8-14(25(28)29)5-6-15(12)26/h2-9,26H,10H2,1H3,(H,21,27)/b20-9+
InChIKey
GHGGTJBPVQCHOW-AWQFTUOYSA-N
Synonyms
348590-12-5
2((E)(2(((5(3chlorophenyl)4methyl4H124triazol2ium3yl)sulfanyl)acetyl)hydrazinylidene)methyl)4nitrophenolate
348590125
MFCD02611123
O=C(CSc1(nH+)nc(n1C)c1cccc(c1)Cl)NN=Cc1cc(ccc1(O))(N+)(=O)(O)
ZINC000038163234

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Available files

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