Vitas-M small molecule compound

2-(2-hydroxyethyl)-3-(4-methoxybenzyl)-3,4-dihydro-2H-1,2-benzothiazin-4-ol 1,1-dioxide

Catalog ID
STL351028
SMILES OCCN1C(Cc2ccc(cc2)OC)C(O)c2c(S1(=O)=O)cccc2

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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 C18H21NO5S MW 363.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H21NO5S/c1-24-14-8-6-13(7-9-14)12-16-18(21)15-4-2-3-5-17(15)25(22,23)19(16)10-11-20/h2-9,16,18,20-21H,10-12H2,1H3
InChIKey
AYZGIGRCSQRVQE-UHFFFAOYSA-N
Synonyms
951938-03-7
2(2hydroxyethyl)3((4methoxyphenyl)methyl)11dioxo34dihydro1$l^(6)2benzothiazin4ol
2(2hydroxyethyl)3(4methoxybenzyl)34dihydro2H12benzothiazin4ol11dioxide
4hydroxy2(2hydroxyethyl)3(4methoxybenzyl)34dihydro2Hbenzo(e)(12)thiazine11dioxide
951938037
COC1=CC=C(C=C1)CC2C(C3=CC=CC=C3S(=O)(=O)N2CCO)O
InChI=1SC18H21NO5Sc124148613(7914)121618(21)15423517(15)25(2223)19(16)101120h2916182021H1012H21H3
MFCD09855044
ZINC000013721049
ZINC000013721057

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Available files

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