Vitas-M small molecule compound

N-{(E)-[4-(1,3-benzothiazol-2-ylsulfanyl)-3-nitrophenyl]methylidene}-2,4-dimethoxyaniline

Catalog ID
STK675228
SMILES COc1ccc(c(c1)OC)/N=C/c1ccc(c(c1)[N+](=O)[O-])Sc1nc2c(s1)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 C22H17N3O4S2 MW 451.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H17N3O4S2/c1-28-15-8-9-16(19(12-15)29-2)23-13-14-7-10-21(18(11-14)25(26)27)31-22-24-17-5-3-4-6-20(17)30-22/h3-13H,1-2H3/b23-13+
InChIKey
OWGIZZDTWNJYPV-YDZHTSKRSA-N
Synonyms

COc1ccc(c(c1)OC)N=Cc1ccc(c(c1)(N+)(=O)(O))Sc1nc2c(s1)cccc2
MFCD00754829
N((E)(4(13benzothiazol2ylsulfanyl)3nitrophenyl)methylidene)24dimethoxyaniline
ZINC000003094712

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Available files

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