Vitas-M small molecule compound
2-[(2E)-1-(1,1-dioxido-1,2-benzothiazol-3-yl)-2-(2-methoxy-5-nitrobenzylidene)hydrazinyl]ethanol
Catalog ID
STL286975
SMILES OCCN(C1=NS(=O)(=O)c2c1cccc2)/N=C/c1cc(ccc1OC)[N+](=O)[O-]
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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 C17H16N4O6S MW 404.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H16N4O6S/c1-27-15-7-6-13(21(23)24)10-12(15)11-18-20(8-9-22)17-14-4-2-3-5-16(14)28(25,26)19-17/h2-7,10-11,22H,8-9H2,1H3/b18-11+InChIKey
JGXUDSFXBIRRBW-WOJGMQOQSA-NSynonyms
591242-50-12((11dioxo12benzothiazol3yl)((E)(2methoxy5nitrophenyl)methylideneamino)amino)ethanol
2((2E)1(11dioxido12benzothiazol3yl)2(2methoxy5nitrobenzylidene)hydrazinyl)ethanol
591242501
COC1=C(C=C(C=C1)(N+)(=O)(O))C=NN(CCO)C2=NS(=O)(=O)C3=CC=CC=C32
InChI=1SC17H16N4O6Sc127157613(21(23)24)1012(15)111820(8922)1714423516(14)28(2526)1917h27101122H89H21H3b1811+
MFCD04084638
OCCN(C1=NS(=O)(=O)c2c1cccc2)N=Cc1cc(ccc1OC)(N+)(=O)(O)
ZINC000016226493
ZINC33787554
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