Vitas-M small molecule compound

N-(2-cyanoethyl)-2-(1,1-dioxido-3-oxo-1,2-benzothiazol-2(3H)-yl)-N-methylacetamide

Catalog ID
STK573564
SMILES N#CCCN(C(=O)CN1C(=O)c2c(S1(=O)=O)cccc2)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 C13H13N3O4S MW 307.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H13N3O4S/c1-15(8-4-7-14)12(17)9-16-13(18)10-5-2-3-6-11(10)21(16,19)20/h2-3,5-6H,4,8-9H2,1H3
InChIKey
DYUHRINZPQHTLK-UHFFFAOYSA-N
Synonyms
729565-54-2
729565542
CN(CCC#N)C(=O)CN1C(=O)C2=CC=CC=C2S1(=O)=O
InChI=1SC13H13N3O4Sc115(84714)12(17)91613(18)10523611(10)21(1619)20h2356H489H21H3
MFCD03968533
N(2cyanoethyl)2(11dioxido3oxo12benzothiazol2(3H)yl)Nmethylacetamide
N(2cyanoethyl)2(11dioxido3oxobenzo(d)isothiazol2(3H)yl)Nmethylacetamide
N(2CYANOETHYL)NMETHYL2(113TRIOXO12BENZOTHIAZOL2YL)ACETAMIDE
ZINC000003281950
ZINC03281950
ZINC3281950

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Available files

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