Vitas-M small molecule compound
3-{(E)-[2-({[5-(3-chlorophenyl)-4-methyl-4H-1,2,4-triazol-2-ium-3-yl]sulfanyl}acetyl)hydrazinylidene]methyl}phenolate
Catalog ID
STK559244
SMILES O=C(CSc1[nH+]nc(n1C)c1cccc(c1)Cl)N/N=C/c1cccc(c1)[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 C18H16ClN5O2S MW 401.88 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H16ClN5O2S/c1-24-17(13-5-3-6-14(19)9-13)22-23-18(24)27-11-16(26)21-20-10-12-4-2-7-15(25)8-12/h2-10,25H,11H2,1H3,(H,21,26)/b20-10+InChIKey
KSPAPENHXLGGSU-KEBDBYFISA-NSynonyms
348587-88-22((5(3CHLOROPHENYL)4METHYL124TRIAZOL3YL)SULFANYL)N((E)(3HYDROXYPHENYL)METHYLIDENEAMINO)ACETAMIDE
3((E)(2(((5(3chlorophenyl)4methyl4H124triazol2ium3yl)sulfanyl)acetyl)hydrazinylidene)methyl)phenolate
348587882
CN1C(=NN=C1SCC(=O)NN=CC2=CC(=CC=C2)O)C3=CC(=CC=C3)Cl
InChI=1SC18H16ClN5O2Sc12417(1353614(19)913)222318(24)271116(26)2120101242715(25)812h21025H11H21H3(H2126)b2010+
MFCD02610952
O=C(CSc1(nH+)nc(n1C)c1cccc(c1)Cl)NN=Cc1cccc(c1)(O)
ZINC000002376643
ZINC33364135
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