Vitas-M small molecule compound

4-{(E)-[2-(1,1-dioxido-1,2-benzothiazol-3-yl)-2-methylhydrazinylidene]methyl}phenyl acetate

Catalog ID
STK139410
SMILES CC(=O)Oc1ccc(cc1)/C=N/N(C1=NS(=O)(=O)c2c1cccc2)C

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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 C17H15N3O4S MW 357.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H15N3O4S/c1-12(21)24-14-9-7-13(8-10-14)11-18-20(2)17-15-5-3-4-6-16(15)25(22,23)19-17/h3-11H,1-2H3/b18-11+
InChIKey
DFUHECNZYVNSTM-WOJGMQOQSA-N
Synonyms

(4((E)((11dioxo12benzothiazol3yl)methylhydrazinylidene)methyl)phenyl)acetate
4((E)(2(11DIOXIDO12BENZOTHIAZOL3YL)2METHYLHYDRAZINYLIDENE)METHYL)PHENYLACETATE
CC(=O)OC1=CC=C(C=C1)C=NN(C)C2=NS(=O)(=O)C3=CC=CC=C32
CC(=O)Oc1ccc(cc1)C=NN(C1=NS(=O)(=O)c2c1cccc2)C
InChI=1SC17H15N3O4Sc112(21)24149713(81014)111820(2)1715534616(15)25(2223)1917h311H12H3b1811+
MFCD03215005
ZINC000004681975
ZINC38201070

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Available files

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