Vitas-M small molecule compound
4-[(E)-{2-[({5-[(2-chlorobenzyl)sulfanyl]-1,3,4-thiadiazol-4-ium-2-yl}sulfanyl)acetyl]hydrazinylidene}methyl]phenolate
Catalog ID
STL147578
SMILES O=C(CSc1n[nH+]c(s1)SCc1ccccc1Cl)N/N=C/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 C18H15ClN4O2S3 MW 450.99 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H15ClN4O2S3/c19-15-4-2-1-3-13(15)10-26-17-22-23-18(28-17)27-11-16(25)21-20-9-12-5-7-14(24)8-6-12/h1-9,24H,10-11H2,(H,21,25)/b20-9+InChIKey
QWTQDZOASBFQCQ-AWQFTUOYSA-NSynonyms
489415-25-04((E)((2((5((2chlorophenyl)methylsulfanyl)134thiadiazol4ium2yl)sulfanyl)acetyl)hydrazinylidene)methyl)phenolate
4((E)(2(((5((2chlorobenzyl)sulfanyl)134thiadiazol4ium2yl)sulfanyl)acetyl)hydrazinylidene)methyl)phenolate
489415250
C1=CC=C(C(=C1)CSC2=(NH+)N=C(S2)SCC(=O)NN=CC3=CC=C(C=C3)(O))Cl
InChI=1SC18H15ClN4O2S3c1915421313(15)102617222318(2817)271116(25)21209125714(24)8612h1924H1011H2(H2125)b209+
MFCD03296476
O=C(CSc1n(nH+)c(s1)SCc1ccccc1Cl)NN=Cc1ccc(cc1)(O)
ZINC000002262318
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