Vitas-M small molecule compound

N'-[(1,3-benzothiazol-2-ylsulfanyl)acetyl]-4-[(5Z)-5-(2-chlorobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]butanehydrazide

Catalog ID
STK533424
SMILES O=C(NNC(=O)CSc1nc2c(s1)cccc2)CCCN1C(=S)S/C(=C\c2ccccc2Cl)/C1=O

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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 C23H19ClN4O3S4 MW 563.15 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H19ClN4O3S4/c24-15-7-2-1-6-14(15)12-18-21(31)28(23(32)35-18)11-5-10-19(29)26-27-20(30)13-33-22-25-16-8-3-4-9-17(16)34-22/h1-4,6-9,12H,5,10-11,13H2,(H,26,29)(H,27,30)/b18-12-
InChIKey
NLIWHNNIXGJWKO-PDGQHHTCSA-N
Synonyms

(Z)N(2(benzo(d)thiazol2ylthio)acetyl)4(5(2chlorobenzylidene)4oxo2thioxothiazolidin3yl)butanehydrazide
C1=CC=C(C(=C1)C=C2C(=O)N(C(=S)S2)CCCC(=O)NNC(=O)CSC3=NC4=CC=CC=C4S3)Cl
InChI=1SC23H19ClN4O3S4c2415721614(15)121821(31)28(23(32)3518)1151019(29)262720(30)1333222516834917(16)3422h146912H5101113H2(H2629)(H2730)b1812
MFCD02370126
N((13benzothiazol2ylsulfanyl)acetyl)4((5Z)5(2chlorobenzylidene)4oxo2thioxo13thiazolidin3yl)butanehydrazide
N(2(13BENZOTHIAZOL2YLSULFANYL)ACETYL)4((5Z)5((2CHLOROPHENYL)METHYLIDENE)4OXO2SULFANYLIDENE13THIAZOLIDIN3YL)BUTANEHYDRAZIDE
O=C(NNC(=O)CSc1nc2c(s1)cccc2)CCCN1C(=S)SC(=Cc2ccccc2Cl)C1=O
ZINC000097945921
ZINC97945921

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Available files

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