Vitas-M small molecule compound

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

Catalog ID
STK541790
SMILES CCCCCOc1ccc(cc1)/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 C23H26N4O2S3 MW 486.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H26N4O2S3/c1-2-3-7-14-29-20-12-10-18(11-13-20)15-24-25-21(28)17-31-23-27-26-22(32-23)30-16-19-8-5-4-6-9-19/h4-6,8-13,15H,2-3,7,14,16-17H2,1H3,(H,25,28)/b24-15+
InChIKey
WTRZZUOOELHCOZ-BUVRLJJBSA-N
Synonyms
499118-72-8
(E)2((5(benzylthio)134thiadiazol2yl)thio)N(4(pentyloxy)benzylidene)acetohydrazide
2((5(benzylsulfanyl)134thiadiazol2yl)sulfanyl)N((E)(4(pentyloxy)phenyl)methylidene)acetohydrazide
2((5benzylsulfanyl134thiadiazol2yl)sulfanyl)N((E)(4pentoxyphenyl)methylideneamino)acetamide
499118728
CCCCCOC1=CC=C(C=C1)C=NNC(=O)CSC2=NN=C(S2)SCC3=CC=CC=C3
CCCCCOc1ccc(cc1)C=NNC(=O)CSc1nnc(s1)SCc1ccccc1
InChI=1SC23H26N4O2S3c1237142920121018(111320)15242521(28)173123272622(3223)3016198546919h4681315H237141617H21H3(H2528)b2415+
MFCD03302611
ZINC000013617220
ZINC34388530

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Available files

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