Vitas-M small molecule compound

2-(1,1-dioxido-3-oxo-1,2-benzothiazol-2(3H)-yl)-N-(pyridin-2-ylmethyl)acetamide

Catalog ID
STK743611
SMILES O=C(CN1C(=O)c2c(S1(=O)=O)cccc2)NCc1ccccn1

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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 C15H13N3O4S MW 331.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H13N3O4S/c19-14(17-9-11-5-3-4-8-16-11)10-18-15(20)12-6-1-2-7-13(12)23(18,21)22/h1-8H,9-10H2,(H,17,19)
InChIKey
CQAXXSNZIZJRRH-UHFFFAOYSA-N
Synonyms
585550-48-7
2(11dioxido3oxo12benzothiazol2(3H)yl)N(pyridin2ylmethyl)acetamide
2(11dioxido3oxobenzo(d)isothiazol2(3H)yl)N(pyridin2ylmethyl)acetamide
585550487
C1=CC=C2C(=C1)C(=O)N(S2(=O)=O)CC(=O)NCC3=CC=CC=N3
InChI=1SC15H13N3O4Sc1914(1791153481611)101815(20)12612713(12)23(1821)22h18H910H2(H1719)
MFCD04028029
N(PYRIDIN2YLMETHYL)2(113TRIOXO12BENZOTHIAZOL2YL)ACETAMIDE
ZINC000000531951
ZINC00531951
ZINC531951

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Available files

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