Vitas-M small molecule compound

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

Catalog ID
STK069531
SMILES COc1c(/C=N/NC(=O)CSc2nnc(s2)SCc2ccccc2)cccc1OC

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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 C20H20N4O3S3 MW 460.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H20N4O3S3/c1-26-16-10-6-9-15(18(16)27-2)11-21-22-17(25)13-29-20-24-23-19(30-20)28-12-14-7-4-3-5-8-14/h3-11H,12-13H2,1-2H3,(H,22,25)/b21-11+
InChIKey
FULDSAWLCGUVRL-SRZZPIQSSA-N
Synonyms
315200-75-0
(E)2((5(benzylthio)134thiadiazol2yl)thio)N(23dimethoxybenzylidene)acetohydrazide
2((5(BENZYLSULFANYL)134THIADIAZOL2YL)SULFANYL)N((E)(23DIMETHOXYPHENYL)METHYLIDENE)ACETOHYDRAZIDE
2((5BENZYLSULFANYL134THIADIAZOL2YL)SULFANYL)N((E)(23DIMETHOXYPHENYL)METHYLIDENEAMINO)ACETAMIDE
315200750
COC1=CC=CC(=C1OC)C=NNC(=O)CSC2=NN=C(S2)SCC3=CC=CC=C3
COc1c(C=NNC(=O)CSc2nnc(s2)SCc2ccccc2)cccc1OC
InChI=1SC20H20N4O3S3c12616106915(18(16)272)11212217(25)132920242319(3020)2812147435814h311H1213H212H3(H2225)b2111+
MFCD02075636
STK069531
ZINC000002329771
ZINC33361187

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.