Vitas-M small molecule compound

N-(1,1-dioxidotetrahydrothiophen-3-yl)-3-hydroxy-2-methyl-2H-1,4-benzoxazine-2-carboxamide

Catalog ID
STK940678
SMILES O=C(C1(C)Oc2ccccc2N=C1O)NC1CCS(=O)(=O)C1

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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 C14H16N2O5S MW 324.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H16N2O5S/c1-14(12(17)15-9-6-7-22(19,20)8-9)13(18)16-10-4-2-3-5-11(10)21-14/h2-5,9H,6-8H2,1H3,(H,15,17)(H,16,18)
InChIKey
IJNKAUBCJRJPMD-UHFFFAOYSA-N
Synonyms
1190265-46-3
1190265463
CC1(C(=O)NC2=CC=CC=C2O1)C(=O)NC3CCS(=O)(=O)C3
InChI=1SC14H16N2O5Sc114(12(17)1596722(1920)89)13(18)1610423511(10)2114h259H68H21H3(H1517)(H1618)
MFCD18179599
N(11dioxidotetrahydrothiophen3yl)3hydroxy2methyl2H14benzoxazine2carboxamide
N(11dioxothiolan3yl)2methyl3oxo4H14benzoxazine2carboxamide
ZINC000036358861
ZINC000036358864

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Available files

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