Vitas-M small molecule compound

2-[(2E)-2-(3,4-dimethoxybenzylidene)-1-(1,1-dioxido-1,2-benzothiazol-3-yl)hydrazinyl]ethanol

Catalog ID
STK136391
SMILES OCCN(C1=NS(=O)(=O)c2c1cccc2)/N=C/c1ccc(c(c1)OC)OC

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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 C18H19N3O5S MW 389.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H19N3O5S/c1-25-15-8-7-13(11-16(15)26-2)12-19-21(9-10-22)18-14-5-3-4-6-17(14)27(23,24)20-18/h3-8,11-12,22H,9-10H2,1-2H3/b19-12+
InChIKey
NFRNVSOBVOYZMP-XDHOZWIPSA-N
Synonyms

2(((E)(34dimethoxyphenyl)methylideneamino)(11dioxo12benzothiazol3yl)amino)ethanol
2((2E)2(34DIMETHOXYBENZYLIDENE)1(11DIOXIDO12BENZOTHIAZOL3YL)HYDRAZINYL)ETHANOL
COC1=C(C=C(C=C1)C=NN(CCO)C2=NS(=O)(=O)C3=CC=CC=C32)OC
InChI=1SC18H19N3O5Sc125158713(1116(15)262)121921(91022)1814534617(14)27(2324)2018h38111222H910H212H3b1912+
MFCD02809146
OCCN(C1=NS(=O)(=O)c2c1cccc2)N=Cc1ccc(c(c1)OC)OC
ZINC000004681225
ZINC33795436

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Available files

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