Vitas-M small molecule compound
4-[(1Z)-1-{2-[({5-[(2-chlorobenzyl)sulfanyl]-1,3,4-thiadiazol-4-ium-2-yl}sulfanyl)acetyl]hydrazinylidene}ethyl]-2-methoxyphenolate
Catalog ID
STK562468
SMILES COc1cc(ccc1[O-])/C(=N\NC(=O)CSc1n[nH+]c(s1)SCc1ccccc1Cl)/C
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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 C20H19ClN4O3S3 MW 495.05 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H19ClN4O3S3/c1-12(13-7-8-16(26)17(9-13)28-2)22-23-18(27)11-30-20-25-24-19(31-20)29-10-14-5-3-4-6-15(14)21/h3-9,26H,10-11H2,1-2H3,(H,23,27)/b22-12-InChIKey
SXUQMLHBSAJFBR-UUYOSTAYSA-NSynonyms
487033-75-04((1Z)1(2(((5((2chlorobenzyl)sulfanyl)134thiadiazol4ium2yl)sulfanyl)acetyl)hydrazinylidene)ethyl)2methoxyphenolate
4((Z)N((2((5((2CHLOROPHENYL)METHYLSULFANYL)134THIADIAZOL4IUM2YL)SULFANYL)ACETYL)AMINO)CMETHYLCARBONIMIDOYL)2METHOXYPHENOLATE
487033750
COc1cc(ccc1(O))C(=NNC(=O)CSc1n(nH+)c(s1)SCc1ccccc1Cl)C
InChI=1SC20H19ClN4O3S3c112(137816(26)17(913)282)222318(27)113020252419(3120)291014534615(14)21h3926H1011H212H3(H2327)b2212
MFCD03287141
ZINC000013553024
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