Vitas-M small molecule compound

2-[(2E)-2-(5-bromo-2-methoxybenzylidene)-1-(1,1-dioxido-1,2-benzothiazol-3-yl)hydrazinyl]ethanol

Catalog ID
STK050882
SMILES OCCN(C1=NS(=O)(=O)c2c1cccc2)/N=C/c1cc(Br)ccc1OC

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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 C17H16BrN3O4S MW 438.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H16BrN3O4S/c1-25-15-7-6-13(18)10-12(15)11-19-21(8-9-22)17-14-4-2-3-5-16(14)26(23,24)20-17/h2-7,10-11,22H,8-9H2,1H3/b19-11+
InChIKey
XLLUXPNDTHIQBW-YBFXNURJSA-N
Synonyms

2(((E)(5bromo2methoxyphenyl)methylideneamino)(11dioxo12benzothiazol3yl)amino)ethanol
2((2E)2(5BROMO2METHOXYBENZYLIDENE)1(11DIOXIDO12BENZOTHIAZOL3YL)HYDRAZINYL)ETHANOL
COC1=C(C=C(C=C1)Br)C=NN(CCO)C2=NS(=O)(=O)C3=CC=CC=C32
InChI=1SC17H16BrN3O4Sc125157613(18)1012(15)111921(8922)1714423516(14)26(2324)2017h27101122H89H21H3b1911+
MFCD03215072
OCCN(C1=NS(=O)(=O)c2c1cccc2)N=Cc1cc(Br)ccc1OC
STK050882
ZINC000009434695
ZINC33767793

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Available files

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