Vitas-M small molecule compound

2-{[5-(benzylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl}-N'-{(E)-[2-hydroxy-3-(prop-2-en-1-yl)phenyl]methylidene}acetohydrazide

Catalog ID
STK045371
SMILES C=CCc1cccc(c1O)/C=N/NC(=O)CSc1nnc(s1)SCc1ccccc1

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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 C21H20N4O2S3 MW 456.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20N4O2S3/c1-2-7-16-10-6-11-17(19(16)27)12-22-23-18(26)14-29-21-25-24-20(30-21)28-13-15-8-4-3-5-9-15/h2-6,8-12,27H,1,7,13-14H2,(H,23,26)/b22-12+
InChIKey
HYTSDYZLULMJNI-WSDLNYQXSA-N
Synonyms
315201-20-8
(E)N(3allyl2hydroxybenzylidene)2((5(benzylthio)134thiadiazol2yl)thio)acetohydrazide
2((5(benzylsulfanyl)134thiadiazol2yl)sulfanyl)N((E)(2hydroxy3(prop2en1yl)phenyl)methylidene)acetohydrazide
2((E)((2((5benzylsulfanyl134thiadiazol4ium2yl)sulfanyl)acetyl)hydrazinylidene)methyl)6prop2enylphenolate
2((E)(2(((5(BENZYLSULFANYL)134THIADIAZOL4IUM2YL)SULFANYL)ACETYL)HYDRAZINYLIDENE)METHYL)6(PROP2EN1YL)PHENOLATE
C=CCC1=CC=CC(=C1(O))C=NNC(=O)CSC2=N(NH+)=C(S2)SCC3=CC=CC=C3
C=CCc1cccc(c1O)C=NNC(=O)CSc1nnc(s1)SCc1ccccc1
InChI=1SC21H20N4O2S3c127161061117(19(16)27)12222318(26)142921252420(3021)2813158435915h2681227H171314H2(H2326)b2212+
STK045371
ZINC000002353733

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Available files

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