Vitas-M small molecule compound

N'-[(E)-{3-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-4-methoxyphenyl}methylidene]-3-chloro-1-benzothiophene-2-carbohydrazide

Catalog ID
STK723118
SMILES COc1ccc(cc1CSc1sc2c(n1)cccc2)/C=N/NC(=O)c1sc2c(c1Cl)cccc2

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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 C25H18ClN3O2S3 MW 524.09 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H18ClN3O2S3/c1-31-19-11-10-15(12-16(19)14-32-25-28-18-7-3-5-9-21(18)34-25)13-27-29-24(30)23-22(26)17-6-2-4-8-20(17)33-23/h2-13H,14H2,1H3,(H,29,30)/b27-13+
InChIKey
OHAPUBYQCDSZMG-UVHMKAGCSA-N
Synonyms
373371-24-5
(E)N(3((benzo(d)thiazol2ylthio)methyl)4methoxybenzylidene)3chlorobenzo(b)thiophene2carbohydrazide
373371245
COC1=C(C=C(C=C1)C=NNC(=O)C2=C(C3=CC=CC=C3S2)Cl)CSC4=NC5=CC=CC=C5S4
COc1ccc(cc1CSc1sc2c(n1)cccc2)C=NNC(=O)c1sc2c(c1Cl)cccc2
InChI=1SC25H18ClN3O2S3c13119111015(1216(19)1432252818735921(18)3425)13272924(30)2322(26)17624820(17)3323h213H14H21H3(H2930)b2713+
MFCD01946792
N((E)(3((13benzothiazol2ylsulfanyl)methyl)4methoxyphenyl)methylidene)3chloro1benzothiophene2carbohydrazide
N((E)(3(13BENZOTHIAZOL2YLSULFANYLMETHYL)4METHOXYPHENYL)METHYLIDENEAMINO)3CHLORO1BENZOTHIOPHENE2CARBOXAMIDE
ZINC000002280140
ZINC100292759

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Available files

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