Vitas-M small molecule compound

2-({5-[(2-chlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)-N'-[(1Z,2Z)-2-chloro-3-phenylprop-2-en-1-ylidene]acetohydrazide

Catalog ID
STK104105
SMILES O=C(CSc1nnc(s1)SCc1ccccc1Cl)N/N=C\C(=C\c1ccccc1)\Cl

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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 C20H16Cl2N4OS3 MW 495.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H16Cl2N4OS3/c21-16(10-14-6-2-1-3-7-14)11-23-24-18(27)13-29-20-26-25-19(30-20)28-12-15-8-4-5-9-17(15)22/h1-11H,12-13H2,(H,24,27)/b16-10-,23-11-
InChIKey
IZGZFZOZAGAVFU-ORSYBPACSA-N
Synonyms

(E)N((Z)2chloro3phenylallylidene)2((5((2chlorobenzyl)thio)134thiadiazol2yl)thio)acetohydrazide
2((5((2CHLOROBENZYL)SULFANYL)134THIADIAZOL2YL)SULFANYL)N((1Z2Z)2CHLORO3PHENYLPROP2EN1YLIDENE)ACETOHYDRAZIDE
2((5((2CHLOROPHENYL)METHYLSULFANYL)134THIADIAZOL2YL)SULFANYL)N((Z)((Z)2CHLORO3PHENYLPROP2ENYLIDENE)AMINO)ACETAMIDE
C1=CC=C(C=C1)C=C(C=NNC(=O)CSC2=NN=C(S2)SCC3=CC=CC=C3Cl)Cl
InChI=1SC20H16Cl2N4OS3c2116(10146213714)11232418(27)132920262519(3020)281215845917(15)22h111H1213H2(H2427)b16102311
MFCD03219834
N((1Z3Z)3CHLORO4PHENYL1AZABUTA13DIENYL)2(5((2CHLOROPHENYL)METHYLTHIO)(134THIADIAZOL2YLTHIO))ACETAMIDE
O=C(CSc1nnc(s1)SCc1ccccc1Cl)NN=CC(=Cc1ccccc1)Cl
ZINC000012464262
ZINC01835396
ZINC1835396

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Available files

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