Vitas-M small molecule compound

(2E)-2-{3-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-4-methoxybenzylidene}-N-phenylhydrazinecarbothioamide

Catalog ID
STK996941
SMILES COc1ccc(cc1CSc1nc2c(s1)cccc2)/C=N/NC(=S)Nc1ccccc1

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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 C23H20N4OS3 MW 464.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H20N4OS3/c1-28-20-12-11-16(14-24-27-22(29)25-18-7-3-2-4-8-18)13-17(20)15-30-23-26-19-9-5-6-10-21(19)31-23/h2-14H,15H2,1H3,(H2,25,27,29)/b24-14+
InChIKey
JUJXWUMAVSRDAV-ZVHZXABRSA-N
Synonyms
527748-08-9
(2E)2(3((13benzothiazol2ylsulfanyl)methyl)4methoxybenzylidene)Nphenylhydrazinecarbothioamide
(E)2(3((benzo(d)thiazol2ylthio)methyl)4methoxybenzylidene)Nphenylhydrazinecarbothioamide
1((E)(3(13BENZOTHIAZOL2YLSULFANYLMETHYL)4METHOXYPHENYL)METHYLIDENEAMINO)3PHENYLTHIOUREA
527748089
COC1=C(C=C(C=C1)C=NNC(=S)NC2=CC=CC=C2)CSC3=NC4=CC=CC=C4S3
COc1ccc(cc1CSc1nc2c(s1)cccc2)C=NNC(=S)Nc1ccccc1
InChI=1SC23H20N4OS3c12820121116(14242722(29)25187324818)1317(20)15302326199561021(19)3123h214H15H21H3(H2252729)b2414+
MFCD03554783
ZINC000002222371
ZINC33350860

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Available files

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